REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1wvm_1_A DATA FIRST_RESID 1 DATA SEQUENCE AETTPWGQTF VGATVLSDSQ AGNRTIcIID SGYDRSHNDL NANNVTGTNN DATA SEQUENCE SGTGNWYQPG NNNAHGTHVA GTIAAIANNE GVVGVMPNQN ANIHIVKVFN DATA SEQUENCE EAGWGYSSSL VAAIDTcVNS GGANVVTMSL GGSGSTTTER NALNTHYNNG DATA SEQUENCE VLLIAAAGNA GDSSYSYPAS YDSVMSVAAV DSNLDHAAFS QYTDQVEISG DATA SEQUENCE PGEAILSTVT VGEGRLADIT IGGQSYFSNG VVPHNRLTPS GTSYAPAPIN DATA SEQUENCE ASATGALAEc TVNGTSFScG NMANKIcLVE RVGNQGSSYP EINSTKAcKT DATA SEQUENCE AGAKGIIVYS NSALPGLQNP FLVDANSDIT VPSVSVDRAT GLALKAKLGQ DATA SEQUENCE STTVSNQGNQ DYEYYNGTSM ATPHVSGVAT LVWSYHPEcS ASQVRAALNA DATA SEQUENCE TADDLSVAGR DNQTGYGMIN AVAAKAYLDE ScTGP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.524 177.584 -0.099 0.000 1.274 1 A CA 0.000 51.987 52.037 -0.082 0.000 0.836 1 A CB 0.000 18.942 19.000 -0.097 0.000 0.831 2 E N 1.053 121.215 120.200 -0.064 0.000 2.171 2 E HA 0.675 5.025 4.350 -0.000 0.000 0.271 2 E C -0.720 175.864 176.600 -0.027 0.000 0.916 2 E CA -0.309 56.052 56.400 -0.065 0.000 0.774 2 E CB 1.458 31.134 29.700 -0.040 0.000 1.128 2 E HN 0.586 nan 8.360 nan 0.000 0.403 3 T N 2.750 117.292 114.554 -0.020 0.000 2.859 3 T HA 0.312 4.662 4.350 -0.000 0.000 0.281 3 T C -0.600 174.111 174.700 0.020 0.000 1.005 3 T CA -0.535 61.600 62.100 0.059 0.000 1.025 3 T CB 1.556 70.550 68.868 0.211 0.000 0.977 3 T HN 0.343 nan 8.240 nan 0.000 0.458 4 T N 5.756 120.335 114.554 0.043 0.000 2.853 4 T HA 0.367 4.717 4.350 -0.000 0.000 0.317 4 T C -2.145 172.576 174.700 0.035 0.000 1.059 4 T CA -1.161 60.955 62.100 0.027 0.000 0.954 4 T CB 0.579 69.477 68.868 0.050 0.000 0.994 4 T HN 0.407 nan 8.240 nan 0.000 0.479 5 P HA -0.033 nan 4.420 nan 0.000 0.267 5 P C 1.465 178.742 177.300 -0.039 0.000 1.200 5 P CA -0.501 62.570 63.100 -0.048 0.000 0.772 5 P CB 0.749 32.346 31.700 -0.173 0.000 0.855 6 W N 2.753 124.017 121.300 -0.061 0.000 2.308 6 W HA -0.171 4.489 4.660 -0.000 0.000 0.301 6 W C 1.397 177.775 176.519 -0.236 0.000 1.220 6 W CA 1.411 58.649 57.345 -0.178 0.000 1.240 6 W CB -2.388 26.837 29.460 -0.392 0.000 1.142 6 W HN 0.424 nan 8.180 nan 0.000 0.521 7 G N 1.507 109.637 108.800 -1.117 0.000 2.442 7 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 7 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 7 G C 1.647 176.425 174.900 -0.203 0.000 1.141 7 G CA 1.257 45.742 45.100 -1.024 0.000 0.763 7 G HN 0.250 nan 8.290 nan 0.000 0.554 8 Q N 0.204 119.977 119.800 -0.044 0.000 2.084 8 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 8 Q C 2.768 178.844 176.000 0.127 0.000 0.978 8 Q CA 1.735 57.578 55.803 0.066 0.000 0.844 8 Q CB -0.957 27.794 28.738 0.022 0.000 0.898 8 Q HN 0.457 nan 8.270 nan 0.000 0.426 9 T N 0.718 115.384 114.554 0.186 0.000 2.812 9 T HA -0.013 4.337 4.350 -0.000 0.000 0.264 9 T C 1.703 176.620 174.700 0.362 0.000 1.042 9 T CA 0.701 62.962 62.100 0.267 0.000 1.140 9 T CB -0.367 68.700 68.868 0.331 0.000 0.870 9 T HN 0.217 nan 8.240 nan 0.000 0.445 10 F N 1.401 121.426 119.950 0.124 0.000 2.171 10 F HA -0.112 4.415 4.527 0.000 0.000 0.300 10 F C 2.445 178.294 175.800 0.081 0.000 1.090 10 F CA 0.589 58.672 58.000 0.138 0.000 1.293 10 F CB -0.218 38.934 39.000 0.254 0.000 1.013 10 F HN 0.066 nan 8.300 nan 0.000 0.486 11 V N -2.347 117.712 119.914 0.242 0.000 3.461 11 V HA 0.385 4.505 4.120 -0.000 0.000 0.267 11 V C 1.473 177.637 176.094 0.116 0.000 1.186 11 V CA 0.805 63.196 62.300 0.152 0.000 1.154 11 V CB -0.439 31.468 31.823 0.140 0.000 0.802 11 V HN 0.465 nan 8.190 nan 0.000 0.474 12 G N -0.326 108.545 108.800 0.118 0.000 2.143 12 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 12 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 12 G C 0.989 175.939 174.900 0.084 0.000 0.981 12 G CA 0.502 45.654 45.100 0.086 0.000 0.665 12 G HN 1.391 nan 8.290 nan 0.000 0.528 13 A N 0.108 122.985 122.820 0.095 0.000 1.969 13 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 13 A C 2.662 180.294 177.584 0.080 0.000 1.169 13 A CA 2.759 54.849 52.037 0.088 0.000 0.635 13 A CB -0.909 18.139 19.000 0.081 0.000 0.810 13 A HN 1.635 nan 8.150 nan 0.000 0.445 14 T N -1.506 113.094 114.554 0.078 0.000 2.881 14 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 14 T C 1.575 176.314 174.700 0.066 0.000 1.068 14 T CA 1.696 63.837 62.100 0.068 0.000 1.131 14 T CB -0.957 67.954 68.868 0.072 0.000 0.871 14 T HN 0.759 nan 8.240 nan 0.000 0.479 15 V N -1.384 118.570 119.914 0.066 0.000 3.235 15 V HA 0.415 4.535 4.120 -0.000 0.000 0.259 15 V C 1.238 177.375 176.094 0.072 0.000 1.133 15 V CA -0.098 62.238 62.300 0.059 0.000 1.128 15 V CB -0.921 30.930 31.823 0.046 0.000 0.757 15 V HN 0.416 nan 8.190 nan 0.000 0.469 16 L N 0.489 121.768 121.223 0.092 0.000 2.472 16 L HA 0.610 4.950 4.340 -0.000 0.000 0.256 16 L C 0.315 177.286 176.870 0.168 0.000 1.111 16 L CA -0.089 54.841 54.840 0.150 0.000 0.800 16 L CB 1.434 43.595 42.059 0.170 0.000 1.286 16 L HN 0.210 nan 8.230 nan 0.000 0.479 17 S N -0.815 115.030 115.700 0.241 0.000 2.532 17 S HA 0.236 4.706 4.470 -0.000 0.000 0.299 17 S C -0.353 174.273 174.600 0.042 0.000 1.105 17 S CA -0.796 57.473 58.200 0.115 0.000 1.018 17 S CB 1.201 64.445 63.200 0.073 0.000 1.021 17 S HN 0.668 nan 8.310 nan 0.000 0.483 18 D N 3.042 123.449 120.400 0.011 0.000 2.370 18 D HA 0.025 4.665 4.640 -0.000 0.000 0.230 18 D C 1.539 177.790 176.300 -0.083 0.000 1.143 18 D CA 0.332 54.313 54.000 -0.032 0.000 0.834 18 D CB -0.243 40.560 40.800 0.004 0.000 0.944 18 D HN 0.424 nan 8.370 nan 0.000 0.504 19 S N -0.043 115.595 115.700 -0.104 0.000 2.440 19 S HA -0.232 4.238 4.470 -0.000 0.000 0.238 19 S C 1.475 175.997 174.600 -0.130 0.000 1.010 19 S CA 0.814 58.953 58.200 -0.101 0.000 0.972 19 S CB -0.255 62.891 63.200 -0.090 0.000 0.774 19 S HN 0.187 nan 8.310 nan 0.000 0.501 20 Q N 0.062 119.742 119.800 -0.200 0.000 2.247 20 Q HA 0.466 4.806 4.340 -0.000 0.000 0.211 20 Q C 1.855 177.763 176.000 -0.153 0.000 0.861 20 Q CA 0.628 56.316 55.803 -0.190 0.000 0.949 20 Q CB -0.026 28.549 28.738 -0.271 0.000 1.115 20 Q HN 0.680 nan 8.270 nan 0.000 0.507 21 A N 0.698 123.443 122.820 -0.124 0.000 2.186 21 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 21 A C 2.041 179.577 177.584 -0.080 0.000 1.159 21 A CA 1.378 53.365 52.037 -0.083 0.000 0.680 21 A CB -0.690 18.283 19.000 -0.044 0.000 0.787 21 A HN 0.389 nan 8.150 nan 0.000 0.467 22 G N 0.861 109.611 108.800 -0.082 0.000 2.559 22 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 22 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 22 G C 1.076 175.920 174.900 -0.093 0.000 1.126 22 G CA 0.843 45.897 45.100 -0.076 0.000 0.778 22 G HN 0.933 nan 8.290 nan 0.000 0.543 23 N N -0.873 117.760 118.700 -0.112 0.000 2.398 23 N HA 0.076 4.816 4.740 -0.000 0.000 0.188 23 N C 0.239 175.637 175.510 -0.187 0.000 1.122 23 N CA -0.261 52.708 53.050 -0.135 0.000 0.866 23 N CB 0.324 38.732 38.487 -0.132 0.000 0.970 23 N HN 0.002 nan 8.380 nan 0.000 0.462 24 R N 0.260 120.658 120.500 -0.170 0.000 2.854 24 R HA 0.451 4.791 4.340 -0.000 0.000 0.271 24 R C -0.965 175.252 176.300 -0.139 0.000 0.996 24 R CA -0.410 55.564 56.100 -0.209 0.000 0.961 24 R CB 1.811 32.009 30.300 -0.169 0.000 1.182 24 R HN -0.053 nan 8.270 nan 0.000 0.479 25 T N 1.910 116.379 114.554 -0.141 0.000 2.928 25 T HA 0.478 4.828 4.350 -0.000 0.000 0.296 25 T C -0.493 174.178 174.700 -0.049 0.000 1.000 25 T CA -0.495 61.551 62.100 -0.090 0.000 0.989 25 T CB 1.377 70.181 68.868 -0.107 0.000 1.005 25 T HN 0.482 nan 8.240 nan 0.000 0.442 26 I N 2.336 122.897 120.570 -0.015 0.000 2.433 26 I HA 0.655 4.825 4.170 -0.000 0.000 0.292 26 I C -0.681 175.446 176.117 0.016 0.000 1.001 26 I CA -0.678 60.635 61.300 0.021 0.000 1.119 26 I CB 0.727 38.752 38.000 0.043 0.000 1.289 26 I HN 0.710 nan 8.210 nan 0.000 0.438 27 c N 8.335 126.953 118.600 0.029 0.000 2.303 27 c HA 0.582 5.152 4.570 -0.000 0.000 0.326 27 c C -0.074 174.035 174.090 0.032 0.000 1.285 27 c CA -0.657 55.692 56.329 0.033 0.000 1.675 27 c CB -0.028 42.507 42.510 0.041 0.000 2.289 27 c HN 0.663 nan 8.230 nan 0.000 0.512 28 I N 7.624 128.203 120.570 0.015 0.000 2.306 28 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 28 I C -0.134 176.008 176.117 0.041 0.000 1.036 28 I CA -0.024 61.302 61.300 0.043 0.000 1.221 28 I CB 0.736 38.773 38.000 0.062 0.000 1.385 28 I HN 0.501 nan 8.210 nan 0.000 0.472 29 I N 6.448 127.053 120.570 0.058 0.000 2.291 29 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 29 I C 0.068 176.251 176.117 0.112 0.000 1.064 29 I CA 0.419 61.747 61.300 0.047 0.000 1.269 29 I CB 0.416 38.444 38.000 0.047 0.000 1.418 29 I HN 0.696 nan 8.210 nan 0.000 0.485 30 D N 2.697 123.170 120.400 0.121 0.000 4.243 30 D HA 0.095 4.735 4.640 -0.000 0.000 0.333 30 D C 0.223 176.646 176.300 0.204 0.000 1.611 30 D CA -0.094 54.017 54.000 0.184 0.000 0.979 30 D CB 1.208 42.125 40.800 0.196 0.000 1.457 30 D HN 0.301 nan 8.370 nan 0.000 0.646 31 S N 0.104 115.924 115.700 0.200 0.000 2.622 31 S HA 0.538 5.008 4.470 -0.000 0.000 0.236 31 S C 0.780 175.481 174.600 0.169 0.000 0.956 31 S CA 0.872 59.189 58.200 0.195 0.000 0.971 31 S CB -0.039 63.262 63.200 0.168 0.000 0.782 31 S HN 0.939 nan 8.310 nan 0.000 0.468 32 G N 0.309 109.222 108.800 0.189 0.000 2.603 32 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.686 32 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.686 32 G C -1.258 173.823 174.900 0.301 0.000 1.286 32 G CA -0.650 44.589 45.100 0.233 0.000 0.871 32 G HN 0.736 nan 8.290 nan 0.000 0.568 33 Y N 0.710 121.126 120.300 0.192 0.000 2.329 33 Y HA 0.539 5.089 4.550 -0.000 0.000 0.328 33 Y C -0.394 175.576 175.900 0.116 0.000 0.992 33 Y CA -0.803 57.404 58.100 0.179 0.000 1.151 33 Y CB 2.035 40.696 38.460 0.334 0.000 1.150 33 Y HN 0.638 nan 8.280 nan 0.000 0.450 34 D N 5.682 126.041 120.400 -0.069 0.000 2.455 34 D HA 0.059 4.699 4.640 -0.000 0.000 0.234 34 D C 1.150 177.423 176.300 -0.045 0.000 1.224 34 D CA 0.312 54.290 54.000 -0.037 0.000 0.999 34 D CB 0.413 41.182 40.800 -0.051 0.000 1.072 34 D HN 0.778 nan 8.370 nan 0.000 0.514 35 R N 1.592 122.190 120.500 0.164 0.000 2.285 35 R HA -0.105 4.235 4.340 -0.000 0.000 0.213 35 R C 1.680 178.042 176.300 0.103 0.000 1.068 35 R CA 1.129 57.370 56.100 0.235 0.000 1.004 35 R CB 0.181 30.603 30.300 0.204 0.000 0.873 35 R HN 0.382 nan 8.270 nan 0.000 0.467 36 S N -1.594 114.138 115.700 0.054 0.000 2.527 36 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 36 S C 0.551 175.155 174.600 0.006 0.000 0.985 36 S CA -0.110 58.102 58.200 0.019 0.000 0.921 36 S CB -0.265 62.933 63.200 -0.004 0.000 0.772 36 S HN 0.450 nan 8.310 nan 0.000 0.529 37 H N 2.192 121.208 119.070 -0.089 0.000 2.886 37 H HA 0.263 4.819 4.556 -0.000 0.000 0.329 37 H C 1.115 176.396 175.328 -0.078 0.000 1.044 37 H CA 0.052 56.025 56.048 -0.125 0.000 1.456 37 H CB 0.449 30.083 29.762 -0.214 0.000 1.464 37 H HN 0.111 nan 8.280 nan 0.000 0.573 38 N N 3.487 122.181 118.700 -0.011 0.000 2.272 38 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 38 N C 0.445 176.072 175.510 0.196 0.000 1.014 38 N CA 1.056 54.154 53.050 0.080 0.000 0.870 38 N CB 0.088 38.581 38.487 0.010 0.000 0.975 38 N HN 0.688 nan 8.380 nan 0.000 0.433 39 D N -0.396 120.253 120.400 0.415 0.000 2.339 39 D HA 0.207 4.847 4.640 -0.000 0.000 0.217 39 D C 1.306 177.622 176.300 0.027 0.000 1.050 39 D CA 0.125 54.234 54.000 0.182 0.000 0.856 39 D CB 0.409 41.319 40.800 0.182 0.000 0.922 39 D HN 0.222 nan 8.370 nan 0.000 0.518 40 L N -1.336 119.907 121.223 0.033 0.000 3.017 40 L HA 0.175 4.515 4.340 -0.000 0.000 0.265 40 L C 1.669 178.649 176.870 0.184 0.000 1.128 40 L CA -0.066 54.776 54.840 0.003 0.000 0.984 40 L CB 0.138 41.963 42.059 -0.390 0.000 1.464 40 L HN -0.153 nan 8.230 nan 0.000 0.556 41 N N 1.985 120.771 118.700 0.144 0.000 2.061 41 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 41 N C 1.428 177.022 175.510 0.140 0.000 1.030 41 N CA 1.840 54.980 53.050 0.151 0.000 0.856 41 N CB 0.069 38.607 38.487 0.084 0.000 1.023 41 N HN 0.305 nan 8.380 nan 0.000 0.424 42 A N -0.535 122.348 122.820 0.105 0.000 2.412 42 A HA 0.177 4.497 4.320 -0.000 0.000 0.253 42 A C 0.155 177.787 177.584 0.080 0.000 1.334 42 A CA -0.412 51.671 52.037 0.078 0.000 0.929 42 A CB -0.456 18.575 19.000 0.052 0.000 0.983 42 A HN 0.270 nan 8.150 nan 0.000 0.508 43 N N 0.845 119.617 118.700 0.120 0.000 2.445 43 N HA 0.111 4.851 4.740 -0.000 0.000 0.264 43 N C -0.533 175.008 175.510 0.053 0.000 1.227 43 N CA -0.255 52.852 53.050 0.095 0.000 0.963 43 N CB 0.376 38.954 38.487 0.152 0.000 1.188 43 N HN 0.196 nan 8.380 nan 0.000 0.491 44 N N 0.542 119.253 118.700 0.018 0.000 3.050 44 N HA 0.063 4.803 4.740 -0.000 0.000 0.289 44 N C -0.660 174.825 175.510 -0.042 0.000 1.209 44 N CA 0.017 53.062 53.050 -0.007 0.000 1.154 44 N CB 0.148 38.624 38.487 -0.017 0.000 1.444 44 N HN 0.166 nan 8.380 nan 0.000 0.529 45 V N 0.994 120.877 119.914 -0.052 0.000 2.513 45 V HA 0.675 4.795 4.120 -0.000 0.000 0.299 45 V C 0.011 176.003 176.094 -0.169 0.000 1.035 45 V CA -0.256 61.937 62.300 -0.178 0.000 0.889 45 V CB 1.764 33.386 31.823 -0.336 0.000 0.988 45 V HN 0.606 nan 8.190 nan 0.000 0.440 46 T N 2.656 116.962 114.554 -0.414 0.000 2.838 46 T HA 0.961 5.311 4.350 -0.000 0.000 0.292 46 T C -0.217 173.592 174.700 -1.485 0.000 1.113 46 T CA -0.323 61.467 62.100 -0.517 0.000 1.008 46 T CB 1.782 70.580 68.868 -0.116 0.000 1.259 46 T HN 1.409 nan 8.240 nan 0.000 0.520 47 G N -0.615 107.214 108.800 -1.619 0.000 2.623 47 G HA2 0.572 4.532 3.960 -0.000 0.000 0.290 47 G HA3 0.572 4.532 3.960 -0.000 0.000 0.290 47 G C -1.537 172.830 174.900 -0.888 0.000 1.437 47 G CA -0.781 43.003 45.100 -2.193 0.000 0.798 47 G HN 0.818 nan 8.290 nan 0.000 0.488 48 T N 2.081 116.359 114.554 -0.461 0.000 2.892 48 T HA 0.381 4.731 4.350 -0.000 0.000 0.311 48 T C -0.133 174.657 174.700 0.151 0.000 1.033 48 T CA -0.675 61.447 62.100 0.037 0.000 0.991 48 T CB 0.720 69.692 68.868 0.174 0.000 0.981 48 T HN 0.414 nan 8.240 nan 0.000 0.457 49 N N 3.518 122.371 118.700 0.254 0.000 2.416 49 N HA 0.118 4.858 4.740 -0.000 0.000 0.246 49 N C -0.048 175.528 175.510 0.109 0.000 1.260 49 N CA 0.107 53.288 53.050 0.219 0.000 0.897 49 N CB 0.486 39.087 38.487 0.189 0.000 1.110 49 N HN 0.604 nan 8.380 nan 0.000 0.439 50 N N -0.691 118.044 118.700 0.059 0.000 2.258 50 N HA 0.059 4.799 4.740 -0.000 0.000 0.299 50 N C 0.646 176.108 175.510 -0.081 0.000 1.047 50 N CA -0.343 52.661 53.050 -0.076 0.000 0.814 50 N CB 1.147 39.508 38.487 -0.211 0.000 1.413 50 N HN 0.445 nan 8.380 nan 0.000 0.478 51 S N 1.705 117.343 115.700 -0.104 0.000 2.420 51 S HA -0.120 4.349 4.470 -0.000 0.000 0.237 51 S C 1.594 176.150 174.600 -0.075 0.000 1.023 51 S CA 1.385 59.541 58.200 -0.074 0.000 0.991 51 S CB -0.402 62.756 63.200 -0.069 0.000 0.792 51 S HN 0.681 nan 8.310 nan 0.000 0.488 52 G N 0.882 109.617 108.800 -0.108 0.000 2.880 52 G HA2 0.195 4.154 3.960 -0.000 0.000 0.209 52 G HA3 0.195 4.154 3.960 -0.000 0.000 0.209 52 G C 1.019 175.879 174.900 -0.067 0.000 1.157 52 G CA 0.718 45.768 45.100 -0.084 0.000 0.779 52 G HN 0.730 nan 8.290 nan 0.000 0.539 53 T N -3.266 111.257 114.554 -0.053 0.000 3.288 53 T HA 0.504 4.854 4.350 -0.000 0.000 0.293 53 T C 1.344 176.022 174.700 -0.035 0.000 1.008 53 T CA 0.762 62.842 62.100 -0.033 0.000 0.929 53 T CB 0.644 69.507 68.868 -0.008 0.000 1.152 53 T HN 1.123 nan 8.240 nan 0.000 0.517 54 G N 2.854 111.624 108.800 -0.050 0.000 2.611 54 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.301 54 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.301 54 G C -0.473 174.355 174.900 -0.120 0.000 1.233 54 G CA -0.069 44.980 45.100 -0.084 0.000 0.993 54 G HN 0.665 nan 8.290 nan 0.000 0.553 55 N N 1.956 120.494 118.700 -0.271 0.000 2.438 55 N HA 0.236 4.976 4.740 -0.000 0.000 0.282 55 N C 1.467 176.707 175.510 -0.450 0.000 1.037 55 N CA 0.102 52.829 53.050 -0.539 0.000 0.942 55 N CB 0.735 38.483 38.487 -1.233 0.000 1.136 55 N HN 0.788 nan 8.380 nan 0.000 0.481 56 W N 3.139 124.310 121.300 -0.216 0.000 2.392 56 W HA -0.181 4.479 4.660 0.000 0.000 0.279 56 W C 0.531 177.053 176.519 0.006 0.000 1.225 56 W CA 0.540 57.848 57.345 -0.062 0.000 1.233 56 W CB -0.792 28.664 29.460 -0.007 0.000 1.122 56 W HN 0.608 nan 8.180 nan 0.000 0.561 57 Y N 0.973 120.794 120.300 -0.798 0.000 2.471 57 Y HA 0.430 4.980 4.550 -0.000 0.000 0.286 57 Y C 0.499 176.240 175.900 -0.266 0.000 1.188 57 Y CA -0.148 57.522 58.100 -0.717 0.000 1.286 57 Y CB -0.961 36.713 38.460 -1.309 0.000 1.072 57 Y HN 0.003 nan 8.280 nan 0.000 0.517 58 Q N 2.492 122.062 119.800 -0.383 0.000 2.616 58 Q HA 0.220 4.560 4.340 -0.000 0.000 0.250 58 Q C -2.140 173.791 176.000 -0.114 0.000 0.991 58 Q CA -2.095 53.576 55.803 -0.220 0.000 0.707 58 Q CB 1.770 30.316 28.738 -0.320 0.000 1.247 58 Q HN 0.068 nan 8.270 nan 0.000 0.491 59 P HA -0.167 nan 4.420 nan 0.000 0.218 59 P C 0.685 177.990 177.300 0.007 0.000 1.148 59 P CA 1.707 64.819 63.100 0.020 0.000 0.822 59 P CB 0.489 32.219 31.700 0.050 0.000 0.784 60 G N 0.017 108.810 108.800 -0.012 0.000 2.512 60 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.210 60 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.210 60 G C -0.958 173.948 174.900 0.010 0.000 1.295 60 G CA -0.598 44.497 45.100 -0.008 0.000 0.934 60 G HN 0.258 nan 8.290 nan 0.000 0.554 61 N N 2.120 120.829 118.700 0.015 0.000 2.473 61 N HA 0.381 5.121 4.740 -0.000 0.000 0.291 61 N C 0.401 175.933 175.510 0.036 0.000 1.083 61 N CA -0.120 52.944 53.050 0.022 0.000 0.951 61 N CB 0.800 39.297 38.487 0.017 0.000 1.164 61 N HN 0.701 nan 8.380 nan 0.000 0.480 62 N N 0.837 119.563 118.700 0.044 0.000 2.714 62 N HA -0.242 4.498 4.740 -0.000 0.000 0.252 62 N C -0.672 174.877 175.510 0.064 0.000 1.014 62 N CA 0.607 53.689 53.050 0.054 0.000 0.735 62 N CB -1.070 37.442 38.487 0.042 0.000 0.924 62 N HN 0.635 nan 8.380 nan 0.000 0.540 63 N N -0.965 117.781 118.700 0.078 0.000 2.622 63 N HA 0.380 5.120 4.740 -0.000 0.000 0.293 63 N C 0.392 175.974 175.510 0.120 0.000 1.788 63 N CA 0.282 53.389 53.050 0.095 0.000 0.860 63 N CB 0.327 38.864 38.487 0.083 0.000 1.388 63 N HN 0.278 nan 8.380 nan 0.000 0.496 64 A N -0.644 122.265 122.820 0.147 0.000 2.251 64 A HA -0.021 4.299 4.320 -0.000 0.000 0.209 64 A C 1.788 179.500 177.584 0.213 0.000 1.187 64 A CA 0.247 52.376 52.037 0.154 0.000 0.823 64 A CB -0.706 18.386 19.000 0.154 0.000 0.846 64 A HN 0.616 nan 8.150 nan 0.000 0.486 65 H N 0.654 119.821 119.070 0.162 0.000 2.289 65 H HA -0.197 4.359 4.556 -0.000 0.000 0.296 65 H C 2.207 177.612 175.328 0.129 0.000 1.091 65 H CA 2.247 58.406 56.048 0.184 0.000 1.274 65 H CB -0.357 29.434 29.762 0.049 0.000 1.364 65 H HN 0.432 nan 8.280 nan 0.000 0.490 66 G N -0.928 108.003 108.800 0.219 0.000 2.432 66 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 66 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 66 G C 1.764 176.703 174.900 0.065 0.000 1.135 66 G CA 1.200 46.393 45.100 0.156 0.000 0.767 66 G HN 0.427 nan 8.290 nan 0.000 0.550 67 T N -0.579 113.983 114.554 0.014 0.000 2.904 67 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 67 T C 1.988 176.567 174.700 -0.203 0.000 1.059 67 T CA 0.955 62.977 62.100 -0.131 0.000 1.137 67 T CB -0.273 68.506 68.868 -0.148 0.000 0.879 67 T HN 0.385 nan 8.240 nan 0.000 0.467 68 H N 0.775 119.684 119.070 -0.269 0.000 2.326 68 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 68 H C 2.257 177.404 175.328 -0.302 0.000 1.081 68 H CA 1.275 57.090 56.048 -0.389 0.000 1.334 68 H CB -0.274 29.122 29.762 -0.611 0.000 1.385 68 H HN 0.134 nan 8.280 nan 0.000 0.504 69 V N 1.385 121.240 119.914 -0.097 0.000 2.287 69 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 69 V C 3.032 179.070 176.094 -0.094 0.000 1.053 69 V CA 1.720 63.968 62.300 -0.086 0.000 1.027 69 V CB -1.201 30.594 31.823 -0.047 0.000 0.646 69 V HN 0.560 nan 8.190 nan 0.000 0.447 70 A N 0.386 123.171 122.820 -0.057 0.000 1.933 70 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 70 A C 2.407 179.929 177.584 -0.103 0.000 1.175 70 A CA 1.892 53.930 52.037 0.002 0.000 0.628 70 A CB -1.160 17.924 19.000 0.139 0.000 0.814 70 A HN 0.546 nan 8.150 nan 0.000 0.444 71 G N -1.298 107.357 108.800 -0.241 0.000 2.432 71 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 71 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 71 G C 1.516 176.255 174.900 -0.268 0.000 1.135 71 G CA 1.568 46.494 45.100 -0.290 0.000 0.767 71 G HN 0.429 nan 8.290 nan 0.000 0.550 72 T N 1.034 115.400 114.554 -0.313 0.000 2.867 72 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 72 T C 2.334 176.867 174.700 -0.280 0.000 1.057 72 T CA 0.688 62.566 62.100 -0.369 0.000 1.136 72 T CB -0.061 68.525 68.868 -0.469 0.000 0.874 72 T HN 0.262 nan 8.240 nan 0.000 0.466 73 I N 0.349 120.814 120.570 -0.174 0.000 2.333 73 I HA 0.083 4.253 4.170 -0.000 0.000 0.246 73 I C 1.764 177.851 176.117 -0.051 0.000 1.106 73 I CA 0.806 62.051 61.300 -0.091 0.000 1.411 73 I CB 0.065 38.046 38.000 -0.031 0.000 1.082 73 I HN 0.135 nan 8.210 nan 0.000 0.420 74 A N 0.435 123.229 122.820 -0.042 0.000 2.579 74 A HA 0.646 4.966 4.320 -0.000 0.000 0.254 74 A C 0.371 177.944 177.584 -0.018 0.000 0.873 74 A CA -0.299 51.733 52.037 -0.009 0.000 1.106 74 A CB -0.334 18.689 19.000 0.039 0.000 1.222 74 A HN 0.116 nan 8.150 nan 0.000 0.470 75 A N 0.624 123.403 122.820 -0.069 0.000 2.546 75 A HA 0.470 4.790 4.320 -0.000 0.000 0.243 75 A C 0.306 177.877 177.584 -0.021 0.000 1.063 75 A CA 0.302 52.297 52.037 -0.070 0.000 0.757 75 A CB -0.376 18.567 19.000 -0.096 0.000 0.991 75 A HN 0.583 nan 8.150 nan 0.000 0.503 76 I N 1.793 122.367 120.570 0.007 0.000 2.588 76 I HA 0.216 4.386 4.170 -0.000 0.000 0.283 76 I C 1.083 177.210 176.117 0.018 0.000 1.119 76 I CA 0.086 61.399 61.300 0.022 0.000 1.419 76 I CB 1.030 39.054 38.000 0.041 0.000 1.394 76 I HN 0.718 nan 8.210 nan 0.000 0.562 77 A N 5.615 128.443 122.820 0.013 0.000 2.396 77 A HA 0.357 4.677 4.320 -0.000 0.000 0.279 77 A C 0.218 177.809 177.584 0.012 0.000 1.165 77 A CA -0.318 51.725 52.037 0.009 0.000 0.824 77 A CB -0.393 18.612 19.000 0.008 0.000 1.100 77 A HN 0.879 nan 8.150 nan 0.000 0.516 78 N N 1.316 120.023 118.700 0.011 0.000 2.297 78 N HA -0.038 4.702 4.740 -0.000 0.000 0.244 78 N C -0.209 175.304 175.510 0.004 0.000 1.412 78 N CA 0.134 53.191 53.050 0.012 0.000 0.837 78 N CB -1.071 37.429 38.487 0.023 0.000 1.336 78 N HN 0.743 nan 8.380 nan 0.000 0.508 79 N N 0.621 119.318 118.700 -0.005 0.000 2.741 79 N HA -0.260 4.480 4.740 -0.000 0.000 0.251 79 N C -1.251 174.242 175.510 -0.027 0.000 1.112 79 N CA 1.379 54.420 53.050 -0.016 0.000 0.750 79 N CB -0.396 38.084 38.487 -0.012 0.000 1.119 79 N HN 0.859 nan 8.380 nan 0.000 0.561 80 E N -1.621 118.563 120.200 -0.027 0.000 2.392 80 E HA 0.525 4.875 4.350 -0.000 0.000 0.279 80 E C 0.671 177.232 176.600 -0.066 0.000 0.964 80 E CA -0.324 56.051 56.400 -0.041 0.000 0.777 80 E CB 1.531 31.234 29.700 0.005 0.000 1.249 80 E HN 0.140 nan 8.360 nan 0.000 0.449 81 G N 0.688 109.369 108.800 -0.199 0.000 2.591 81 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.298 81 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.298 81 G C 0.327 174.984 174.900 -0.405 0.000 1.195 81 G CA 1.627 46.394 45.100 -0.554 0.000 0.989 81 G HN 1.554 nan 8.290 nan 0.000 0.551 82 V N -2.544 117.224 119.914 -0.242 0.000 3.119 82 V HA 0.964 5.084 4.120 -0.000 0.000 0.309 82 V C 0.484 176.537 176.094 -0.067 0.000 1.304 82 V CA 0.250 62.464 62.300 -0.143 0.000 1.057 82 V CB 1.131 32.858 31.823 -0.161 0.000 1.150 82 V HN 2.376 nan 8.190 nan 0.000 0.474 83 V N -2.372 117.502 119.914 -0.067 0.000 2.888 83 V HA 1.008 5.128 4.120 -0.000 0.000 0.309 83 V C 0.166 176.216 176.094 -0.074 0.000 1.114 83 V CA 0.282 62.553 62.300 -0.049 0.000 0.940 83 V CB 0.889 32.698 31.823 -0.023 0.000 1.021 83 V HN 1.516 nan 8.190 nan 0.000 0.426 84 G N 1.068 109.827 108.800 -0.069 0.000 2.613 84 G HA2 0.504 4.464 3.960 -0.000 0.000 0.303 84 G HA3 0.504 4.464 3.960 -0.000 0.000 0.303 84 G C 0.647 175.514 174.900 -0.055 0.000 1.312 84 G CA -0.135 44.908 45.100 -0.096 0.000 1.036 84 G HN 0.965 nan 8.290 nan 0.000 0.513 85 V N -0.103 119.775 119.914 -0.061 0.000 2.392 85 V HA -0.077 4.043 4.120 -0.000 0.000 0.249 85 V C 1.362 177.467 176.094 0.018 0.000 1.059 85 V CA 1.584 63.879 62.300 -0.009 0.000 1.051 85 V CB -0.566 31.256 31.823 -0.002 0.000 0.658 85 V HN 0.459 nan 8.190 nan 0.000 0.455 86 M N 0.991 120.596 119.600 0.009 0.000 1.998 86 M HA 0.284 4.764 4.480 -0.000 0.000 0.289 86 M C -2.205 174.100 176.300 0.009 0.000 0.886 86 M CA -1.124 54.187 55.300 0.018 0.000 0.853 86 M CB 2.305 34.919 32.600 0.022 0.000 1.462 86 M HN -0.012 nan 8.290 nan 0.000 0.375 87 P HA 0.085 nan 4.420 nan 0.000 0.261 87 P C -0.189 177.118 177.300 0.011 0.000 1.268 87 P CA 0.557 63.660 63.100 0.006 0.000 0.833 87 P CB 0.280 31.981 31.700 0.002 0.000 1.231 88 N N 1.106 119.812 118.700 0.009 0.000 2.327 88 N HA 0.059 4.799 4.740 -0.000 0.000 0.231 88 N C -0.057 175.456 175.510 0.005 0.000 1.130 88 N CA -0.021 53.034 53.050 0.007 0.000 0.845 88 N CB -0.069 38.420 38.487 0.003 0.000 1.073 88 N HN 0.171 nan 8.380 nan 0.000 0.496 89 Q N -0.668 119.139 119.800 0.011 0.000 2.468 89 Q HA -0.232 4.108 4.340 -0.000 0.000 0.289 89 Q C -0.050 175.950 176.000 -0.001 0.000 1.299 89 Q CA 0.644 56.454 55.803 0.012 0.000 0.838 89 Q CB -1.883 26.865 28.738 0.016 0.000 1.195 89 Q HN 0.533 nan 8.270 nan 0.000 0.456 90 N N -0.489 118.206 118.700 -0.009 0.000 2.606 90 N HA 0.257 4.997 4.740 -0.000 0.000 0.208 90 N C 0.350 175.843 175.510 -0.029 0.000 1.046 90 N CA 0.295 53.331 53.050 -0.024 0.000 0.891 90 N CB 0.338 38.804 38.487 -0.034 0.000 1.344 90 N HN 0.339 nan 8.380 nan 0.000 0.437 91 A N 1.265 124.071 122.820 -0.022 0.000 2.531 91 A HA 0.110 4.430 4.320 -0.000 0.000 0.236 91 A C -0.308 177.258 177.584 -0.030 0.000 1.062 91 A CA 0.131 52.153 52.037 -0.026 0.000 0.760 91 A CB 0.032 19.027 19.000 -0.008 0.000 0.995 91 A HN 0.279 nan 8.150 nan 0.000 0.501 92 N N 1.124 119.798 118.700 -0.044 0.000 2.455 92 N HA 0.447 5.187 4.740 -0.000 0.000 0.280 92 N C -0.871 174.609 175.510 -0.051 0.000 1.055 92 N CA 0.163 53.182 53.050 -0.051 0.000 0.961 92 N CB 1.278 39.727 38.487 -0.064 0.000 1.121 92 N HN 0.541 nan 8.380 nan 0.000 0.476 93 I N 1.425 121.951 120.570 -0.072 0.000 2.465 93 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 93 I C -0.475 175.548 176.117 -0.155 0.000 1.014 93 I CA -0.691 60.550 61.300 -0.098 0.000 1.093 93 I CB 1.650 39.575 38.000 -0.124 0.000 1.267 93 I HN 0.423 nan 8.210 nan 0.000 0.431 94 H N 6.156 125.079 119.070 -0.245 0.000 2.538 94 H HA 0.594 5.150 4.556 0.000 0.000 0.353 94 H C -1.190 173.936 175.328 -0.336 0.000 1.109 94 H CA -0.520 55.327 56.048 -0.336 0.000 1.192 94 H CB 1.346 30.964 29.762 -0.241 0.000 1.555 94 H HN 0.286 nan 8.280 nan 0.000 0.518 95 I N 5.888 125.911 120.570 -0.912 0.000 2.378 95 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 95 I C -0.604 175.252 176.117 -0.435 0.000 0.992 95 I CA -0.801 60.175 61.300 -0.541 0.000 1.154 95 I CB 1.377 39.123 38.000 -0.423 0.000 1.315 95 I HN 0.344 nan 8.210 nan 0.000 0.448 96 V N 6.545 126.372 119.914 -0.144 0.000 2.380 96 V HA 0.292 4.412 4.120 -0.000 0.000 0.286 96 V C 0.223 176.302 176.094 -0.024 0.000 1.015 96 V CA -0.925 61.341 62.300 -0.057 0.000 0.834 96 V CB 1.869 33.663 31.823 -0.049 0.000 1.009 96 V HN 0.645 nan 8.190 nan 0.000 0.428 97 K N 3.920 124.356 120.400 0.060 0.000 2.273 97 K HA 0.355 4.675 4.320 -0.000 0.000 0.287 97 K C 0.670 177.242 176.600 -0.047 0.000 1.089 97 K CA -0.234 56.090 56.287 0.061 0.000 0.909 97 K CB 1.253 33.833 32.500 0.135 0.000 1.123 97 K HN 0.631 nan 8.250 nan 0.000 0.473 98 V N 1.569 121.346 119.914 -0.228 0.000 3.661 98 V HA 0.346 4.466 4.120 -0.000 0.000 0.271 98 V C -0.088 175.562 176.094 -0.739 0.000 1.315 98 V CA -0.138 61.746 62.300 -0.693 0.000 1.072 98 V CB -0.433 30.630 31.823 -1.267 0.000 0.830 98 V HN 0.407 nan 8.190 nan 0.000 0.443 99 F N 1.791 121.580 119.950 -0.269 0.000 2.495 99 F HA 0.660 5.187 4.527 -0.000 0.000 0.327 99 F C 0.416 176.180 175.800 -0.060 0.000 1.103 99 F CA -0.699 57.222 58.000 -0.131 0.000 0.949 99 F CB 1.627 40.606 39.000 -0.035 0.000 1.142 99 F HN -0.033 nan 8.300 nan 0.000 0.457 100 N N 1.268 120.042 118.700 0.123 0.000 2.563 100 N HA 0.136 4.876 4.740 -0.000 0.000 0.288 100 N C 1.059 176.648 175.510 0.132 0.000 1.246 100 N CA -0.509 52.594 53.050 0.088 0.000 0.946 100 N CB 0.969 39.475 38.487 0.031 0.000 1.213 100 N HN 0.743 nan 8.380 nan 0.000 0.578 101 E N 0.624 120.876 120.200 0.088 0.000 2.097 101 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 101 E C 1.293 177.949 176.600 0.094 0.000 1.000 101 E CA 1.563 58.013 56.400 0.082 0.000 0.804 101 E CB -0.036 29.696 29.700 0.053 0.000 0.740 101 E HN 0.630 nan 8.360 nan 0.000 0.454 102 A N 0.227 123.099 122.820 0.086 0.000 2.067 102 A HA 0.225 4.545 4.320 -0.000 0.000 0.219 102 A C 1.145 178.809 177.584 0.133 0.000 1.158 102 A CA 1.448 53.538 52.037 0.088 0.000 0.661 102 A CB -0.254 18.784 19.000 0.063 0.000 0.801 102 A HN 0.526 nan 8.150 nan 0.000 0.452 103 G N -2.811 106.105 108.800 0.193 0.000 2.302 103 G HA2 0.084 4.044 3.960 -0.000 0.000 0.276 103 G HA3 0.084 4.044 3.960 -0.000 0.000 0.276 103 G C -0.867 174.119 174.900 0.145 0.000 1.316 103 G CA -0.385 44.902 45.100 0.311 0.000 0.988 103 G HN 0.639 nan 8.290 nan 0.000 0.479 104 W N 2.046 123.151 121.300 -0.324 0.000 2.385 104 W HA 0.432 5.092 4.660 -0.000 0.000 0.336 104 W C 0.784 177.144 176.519 -0.266 0.000 1.351 104 W CA 1.320 58.231 57.345 -0.723 0.000 1.295 104 W CB 0.395 29.477 29.460 -0.630 0.000 1.239 104 W HN 1.174 nan 8.180 nan 0.000 0.565 105 G N 5.357 113.839 108.800 -0.530 0.000 3.443 105 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.252 105 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.252 105 G C -0.641 174.109 174.900 -0.250 0.000 1.015 105 G CA -0.379 44.586 45.100 -0.225 0.000 0.891 105 G HN 0.489 nan 8.290 nan 0.000 0.510 106 Y N 2.940 122.758 120.300 -0.803 0.000 2.712 106 Y HA 0.138 4.688 4.550 -0.000 0.000 0.333 106 Y C 2.022 177.880 175.900 -0.070 0.000 1.225 106 Y CA 0.220 58.036 58.100 -0.473 0.000 1.499 106 Y CB 1.332 39.367 38.460 -0.707 0.000 1.288 106 Y HN 0.130 nan 8.280 nan 0.000 0.575 107 S N 0.993 116.520 115.700 -0.289 0.000 2.474 107 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 107 S C 0.918 175.501 174.600 -0.028 0.000 0.997 107 S CA 0.815 58.929 58.200 -0.143 0.000 0.949 107 S CB -0.104 62.970 63.200 -0.210 0.000 0.766 107 S HN 0.504 nan 8.310 nan 0.000 0.517 108 S N 0.250 115.964 115.700 0.022 0.000 2.971 108 S HA 0.690 5.160 4.470 -0.000 0.000 0.320 108 S C -0.095 174.833 174.600 0.548 0.000 1.111 108 S CA -0.155 58.182 58.200 0.228 0.000 0.870 108 S CB 1.154 64.434 63.200 0.133 0.000 1.331 108 S HN 0.652 nan 8.310 nan 0.000 0.635 109 S N 0.670 116.619 115.700 0.415 0.000 2.681 109 S HA 0.375 4.845 4.470 -0.000 0.000 0.270 109 S C 1.093 175.959 174.600 0.443 0.000 1.209 109 S CA -0.377 58.037 58.200 0.356 0.000 0.988 109 S CB 0.505 63.808 63.200 0.172 0.000 1.006 109 S HN 0.646 nan 8.310 nan 0.000 0.558 110 L N 1.289 122.679 121.223 0.279 0.000 2.093 110 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 110 L C 2.295 179.288 176.870 0.205 0.000 1.085 110 L CA 1.521 56.531 54.840 0.283 0.000 0.755 110 L CB -0.903 41.261 42.059 0.174 0.000 0.904 110 L HN 0.671 nan 8.230 nan 0.000 0.435 111 V N 0.229 120.249 119.914 0.176 0.000 2.332 111 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 111 V C 2.811 179.023 176.094 0.196 0.000 1.055 111 V CA 1.698 64.099 62.300 0.168 0.000 1.038 111 V CB -1.313 30.588 31.823 0.129 0.000 0.651 111 V HN 0.626 nan 8.190 nan 0.000 0.450 112 A N -0.241 122.718 122.820 0.231 0.000 1.933 112 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 112 A C 2.411 180.169 177.584 0.291 0.000 1.175 112 A CA 1.959 54.154 52.037 0.264 0.000 0.628 112 A CB -0.679 18.507 19.000 0.311 0.000 0.814 112 A HN 0.570 nan 8.150 nan 0.000 0.444 113 A N 0.017 122.990 122.820 0.255 0.000 1.898 113 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 113 A C 2.098 179.712 177.584 0.050 0.000 1.181 113 A CA 1.476 53.539 52.037 0.043 0.000 0.620 113 A CB -0.572 18.245 19.000 -0.305 0.000 0.819 113 A HN 0.495 nan 8.150 nan 0.000 0.442 114 I N -0.161 120.442 120.570 0.055 0.000 2.315 114 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 114 I C 1.784 177.856 176.117 -0.075 0.000 1.117 114 I CA 1.304 62.584 61.300 -0.034 0.000 1.404 114 I CB -0.494 37.477 38.000 -0.049 0.000 1.071 114 I HN 0.237 nan 8.210 nan 0.000 0.419 115 D N 0.625 121.073 120.400 0.080 0.000 2.123 115 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 115 D C 2.210 178.560 176.300 0.083 0.000 0.992 115 D CA 1.628 55.717 54.000 0.148 0.000 0.833 115 D CB -0.362 40.554 40.800 0.194 0.000 0.954 115 D HN 0.262 nan 8.370 nan 0.000 0.455 116 T N 0.183 114.795 114.554 0.097 0.000 2.746 116 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 116 T C 2.265 176.979 174.700 0.023 0.000 1.039 116 T CA 0.893 63.047 62.100 0.090 0.000 1.142 116 T CB -0.552 68.418 68.868 0.170 0.000 0.866 116 T HN 0.229 nan 8.240 nan 0.000 0.444 117 c N 0.916 119.525 118.600 0.015 0.000 2.398 117 c HA -0.049 4.521 4.570 -0.000 0.000 0.276 117 c C 2.866 176.890 174.090 -0.111 0.000 1.222 117 c CA 0.487 56.801 56.329 -0.026 0.000 1.746 117 c CB -1.111 41.384 42.510 -0.024 0.000 2.039 117 c HN 0.376 nan 8.230 nan 0.000 0.470 118 V N 1.424 121.283 119.914 -0.092 0.000 2.346 118 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 118 V C 2.134 178.197 176.094 -0.051 0.000 1.037 118 V CA 1.935 64.194 62.300 -0.069 0.000 1.029 118 V CB -0.645 31.158 31.823 -0.033 0.000 0.663 118 V HN 0.521 nan 8.190 nan 0.000 0.454 119 N N 0.172 118.861 118.700 -0.017 0.000 2.207 119 N HA -0.068 4.672 4.740 -0.000 0.000 0.182 119 N C 2.016 177.487 175.510 -0.065 0.000 1.020 119 N CA 1.654 54.694 53.050 -0.016 0.000 0.858 119 N CB -0.150 38.353 38.487 0.026 0.000 0.991 119 N HN 0.363 nan 8.380 nan 0.000 0.427 120 S N -0.460 115.182 115.700 -0.097 0.000 2.441 120 S HA 0.107 4.577 4.470 -0.000 0.000 0.224 120 S C 1.858 176.227 174.600 -0.385 0.000 1.043 120 S CA 0.656 58.769 58.200 -0.145 0.000 0.948 120 S CB 0.135 63.309 63.200 -0.044 0.000 0.810 120 S HN 0.477 nan 8.310 nan 0.000 0.504 121 G N 0.153 108.581 108.800 -0.620 0.000 2.838 121 G HA2 0.391 4.351 3.960 -0.000 0.000 0.210 121 G HA3 0.391 4.351 3.960 -0.000 0.000 0.210 121 G C 0.947 175.587 174.900 -0.433 0.000 1.153 121 G CA 0.280 44.768 45.100 -1.019 0.000 0.778 121 G HN 0.760 nan 8.290 nan 0.000 0.539 122 G N -0.204 108.441 108.800 -0.259 0.000 2.221 122 G HA2 0.100 4.060 3.960 -0.000 0.000 0.265 122 G HA3 0.100 4.060 3.960 -0.000 0.000 0.265 122 G C 0.542 175.359 174.900 -0.138 0.000 1.041 122 G CA 0.347 45.350 45.100 -0.160 0.000 0.807 122 G HN 1.356 nan 8.290 nan 0.000 0.502 123 A N -0.852 121.890 122.820 -0.130 0.000 2.498 123 A HA 0.547 4.867 4.320 -0.000 0.000 0.239 123 A C 1.066 178.617 177.584 -0.055 0.000 1.068 123 A CA 1.134 53.122 52.037 -0.082 0.000 0.766 123 A CB 0.138 19.106 19.000 -0.054 0.000 1.003 123 A HN 0.601 nan 8.150 nan 0.000 0.497 124 N N -0.026 118.637 118.700 -0.061 0.000 2.454 124 N HA 0.201 4.941 4.740 -0.000 0.000 0.177 124 N C -0.656 174.964 175.510 0.184 0.000 1.049 124 N CA 0.257 53.265 53.050 -0.071 0.000 0.887 124 N CB 0.652 38.883 38.487 -0.427 0.000 1.095 124 N HN 0.399 nan 8.380 nan 0.000 0.446 125 V N 1.423 121.429 119.914 0.154 0.000 2.588 125 V HA 0.446 4.566 4.120 -0.000 0.000 0.304 125 V C -0.794 175.372 176.094 0.120 0.000 1.042 125 V CA -0.820 61.612 62.300 0.219 0.000 0.877 125 V CB 2.380 34.352 31.823 0.249 0.000 0.996 125 V HN -0.246 nan 8.190 nan 0.000 0.425 126 V N 3.140 123.123 119.914 0.114 0.000 2.407 126 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 126 V C 0.035 176.183 176.094 0.090 0.000 1.018 126 V CA -0.302 62.043 62.300 0.075 0.000 0.842 126 V CB 1.936 33.783 31.823 0.041 0.000 0.996 126 V HN 0.920 nan 8.190 nan 0.000 0.426 127 T N 6.846 121.451 114.554 0.085 0.000 2.771 127 T HA 0.709 5.059 4.350 -0.000 0.000 0.281 127 T C -0.513 174.248 174.700 0.100 0.000 0.982 127 T CA -0.389 61.766 62.100 0.093 0.000 0.978 127 T CB 0.478 69.397 68.868 0.086 0.000 0.930 127 T HN 0.577 nan 8.240 nan 0.000 0.447 128 M N 4.131 123.799 119.600 0.113 0.000 2.007 128 M HA 0.297 4.777 4.480 -0.000 0.000 0.285 128 M C 0.146 176.530 176.300 0.140 0.000 0.893 128 M CA -0.455 54.925 55.300 0.134 0.000 0.925 128 M CB 1.772 34.459 32.600 0.145 0.000 1.568 128 M HN 0.371 nan 8.290 nan 0.000 0.414 129 S N 4.633 120.426 115.700 0.157 0.000 3.983 129 S HA 0.484 4.954 4.470 -0.000 0.000 0.194 129 S C -0.500 174.176 174.600 0.126 0.000 1.464 129 S CA -0.468 57.837 58.200 0.176 0.000 1.021 129 S CB -0.890 62.467 63.200 0.261 0.000 1.424 129 S HN 0.542 nan 8.310 nan 0.000 0.473 130 L N -2.284 119.005 121.223 0.109 0.000 2.892 130 L HA 1.063 5.403 4.340 -0.000 0.000 0.269 130 L C -0.338 176.609 176.870 0.128 0.000 1.058 130 L CA -0.840 54.053 54.840 0.087 0.000 0.923 130 L CB 0.615 42.779 42.059 0.175 0.000 1.518 130 L HN 0.183 nan 8.230 nan 0.000 0.402 131 G N -2.199 106.685 108.800 0.141 0.000 2.322 131 G HA2 0.698 4.658 3.960 -0.000 0.000 0.295 131 G HA3 0.698 4.658 3.960 -0.000 0.000 0.295 131 G C -1.407 173.558 174.900 0.109 0.000 1.369 131 G CA 0.045 45.218 45.100 0.122 0.000 0.821 131 G HN 1.349 nan 8.290 nan 0.000 0.536 132 G N -1.596 107.265 108.800 0.101 0.000 2.695 132 G HA2 0.658 4.618 3.960 -0.000 0.000 0.290 132 G HA3 0.658 4.618 3.960 -0.000 0.000 0.290 132 G C 0.853 175.831 174.900 0.130 0.000 1.410 132 G CA 0.968 46.118 45.100 0.083 0.000 0.844 132 G HN 1.648 nan 8.290 nan 0.000 0.478 133 S N -0.978 114.785 115.700 0.105 0.000 2.470 133 S HA 0.254 4.724 4.470 -0.000 0.000 0.225 133 S C 1.313 176.007 174.600 0.156 0.000 1.006 133 S CA 0.620 58.909 58.200 0.148 0.000 0.934 133 S CB 0.016 63.266 63.200 0.082 0.000 0.778 133 S HN 1.065 nan 8.310 nan 0.000 0.517 134 G N 1.310 110.136 108.800 0.044 0.000 2.507 134 G HA2 0.510 4.470 3.960 -0.000 0.000 0.271 134 G HA3 0.510 4.470 3.960 -0.000 0.000 0.271 134 G C -0.526 174.190 174.900 -0.306 0.000 1.189 134 G CA -0.175 44.874 45.100 -0.085 0.000 0.859 134 G HN 0.631 nan 8.290 nan 0.000 0.542 135 S N -0.958 114.481 115.700 -0.434 0.000 2.546 135 S HA 0.827 5.297 4.470 -0.000 0.000 0.274 135 S C -0.435 174.048 174.600 -0.194 0.000 1.121 135 S CA -0.410 57.443 58.200 -0.578 0.000 0.887 135 S CB 2.041 64.474 63.200 -1.278 0.000 1.094 135 S HN 1.325 nan 8.310 nan 0.000 0.474 136 T N -1.838 112.700 114.554 -0.026 0.000 2.896 136 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 136 T C 0.751 175.439 174.700 -0.019 0.000 1.108 136 T CA -0.513 61.571 62.100 -0.026 0.000 1.004 136 T CB 1.177 70.029 68.868 -0.026 0.000 1.159 136 T HN 0.447 nan 8.240 nan 0.000 0.499 137 T N 1.264 115.799 114.554 -0.033 0.000 2.777 137 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 137 T C 2.050 176.710 174.700 -0.066 0.000 1.040 137 T CA 1.953 64.027 62.100 -0.043 0.000 1.141 137 T CB -0.709 68.142 68.868 -0.030 0.000 0.868 137 T HN 0.815 nan 8.240 nan 0.000 0.444 138 T N 1.670 116.193 114.554 -0.052 0.000 2.746 138 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 138 T C 1.921 176.575 174.700 -0.077 0.000 1.039 138 T CA 1.431 63.500 62.100 -0.050 0.000 1.142 138 T CB -0.199 68.652 68.868 -0.028 0.000 0.866 138 T HN 0.546 nan 8.240 nan 0.000 0.444 139 E N 0.878 121.022 120.200 -0.094 0.000 2.072 139 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 139 E C 2.424 178.801 176.600 -0.371 0.000 0.982 139 E CA 0.666 56.980 56.400 -0.144 0.000 0.803 139 E CB -0.032 29.637 29.700 -0.053 0.000 0.755 139 E HN 0.349 nan 8.360 nan 0.000 0.453 140 R N 0.562 120.754 120.500 -0.514 0.000 2.083 140 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 140 R C 1.879 177.997 176.300 -0.304 0.000 1.137 140 R CA 2.207 57.908 56.100 -0.665 0.000 0.951 140 R CB -0.319 29.781 30.300 -0.333 0.000 0.851 140 R HN 0.256 nan 8.270 nan 0.000 0.434 141 N N -0.276 118.321 118.700 -0.173 0.000 2.120 141 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 141 N C 1.824 177.284 175.510 -0.083 0.000 1.024 141 N CA 0.995 53.988 53.050 -0.095 0.000 0.852 141 N CB -0.148 38.299 38.487 -0.066 0.000 1.003 141 N HN 0.319 nan 8.380 nan 0.000 0.424 142 A N 0.975 123.742 122.820 -0.088 0.000 1.902 142 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 142 A C 2.029 179.612 177.584 -0.001 0.000 1.181 142 A CA 1.202 53.205 52.037 -0.057 0.000 0.623 142 A CB -0.532 18.460 19.000 -0.013 0.000 0.818 142 A HN 0.100 nan 8.150 nan 0.000 0.443 143 L N 0.250 121.470 121.223 -0.005 0.000 2.109 143 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 143 L C 2.222 179.158 176.870 0.110 0.000 1.086 143 L CA 1.770 56.660 54.840 0.085 0.000 0.760 143 L CB -0.927 41.122 42.059 -0.017 0.000 0.910 143 L HN 0.593 nan 8.230 nan 0.000 0.437 144 N N -1.163 117.557 118.700 0.035 0.000 2.166 144 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 144 N C 1.529 177.115 175.510 0.127 0.000 1.019 144 N CA 1.589 54.703 53.050 0.108 0.000 0.856 144 N CB 0.224 38.740 38.487 0.047 0.000 0.993 144 N HN 0.316 nan 8.380 nan 0.000 0.426 145 T N -0.530 114.045 114.554 0.035 0.000 2.708 145 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 145 T C 1.380 176.089 174.700 0.015 0.000 1.037 145 T CA 1.271 63.360 62.100 -0.020 0.000 1.146 145 T CB -0.481 68.316 68.868 -0.119 0.000 0.865 145 T HN 0.411 nan 8.240 nan 0.000 0.435 146 H N -0.932 118.189 119.070 0.085 0.000 2.353 146 H HA -0.083 4.473 4.556 -0.000 0.000 0.300 146 H C 2.097 177.517 175.328 0.152 0.000 1.090 146 H CA 1.779 57.889 56.048 0.103 0.000 1.327 146 H CB -0.155 29.670 29.762 0.105 0.000 1.383 146 H HN 0.314 nan 8.280 nan 0.000 0.508 147 Y N 1.741 122.145 120.300 0.174 0.000 2.145 147 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 147 Y C 1.950 177.907 175.900 0.096 0.000 1.145 147 Y CA 1.377 59.551 58.100 0.123 0.000 1.148 147 Y CB -0.384 38.132 38.460 0.093 0.000 0.981 147 Y HN 0.181 nan 8.280 nan 0.000 0.507 148 N N 0.484 119.171 118.700 -0.022 0.000 2.381 148 N HA -0.154 4.586 4.740 -0.000 0.000 0.182 148 N C 0.929 176.397 175.510 -0.071 0.000 1.025 148 N CA 1.054 54.026 53.050 -0.130 0.000 0.888 148 N CB -0.415 38.054 38.487 -0.031 0.000 0.965 148 N HN 0.451 nan 8.380 nan 0.000 0.438 149 N N 0.130 118.834 118.700 0.007 0.000 2.521 149 N HA 0.021 4.761 4.740 -0.000 0.000 0.188 149 N C 0.998 176.542 175.510 0.056 0.000 1.146 149 N CA 0.678 53.748 53.050 0.034 0.000 0.893 149 N CB 0.338 38.864 38.487 0.064 0.000 0.975 149 N HN 0.351 nan 8.380 nan 0.000 0.451 150 G N -0.780 108.046 108.800 0.043 0.000 2.154 150 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.186 150 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.186 150 G C -0.379 174.669 174.900 0.247 0.000 1.000 150 G CA -0.193 44.976 45.100 0.115 0.000 0.664 150 G HN 0.136 nan 8.290 nan 0.000 0.513 151 V N 1.431 121.487 119.914 0.237 0.000 2.370 151 V HA 0.636 4.756 4.120 -0.000 0.000 0.279 151 V C 0.495 176.799 176.094 0.349 0.000 1.029 151 V CA -0.867 61.605 62.300 0.287 0.000 0.870 151 V CB 1.592 33.535 31.823 0.200 0.000 0.984 151 V HN 0.395 nan 8.190 nan 0.000 0.451 152 L N 7.234 128.683 121.223 0.376 0.000 2.313 152 L HA 0.445 4.785 4.340 -0.000 0.000 0.282 152 L C -0.440 176.565 176.870 0.225 0.000 1.092 152 L CA 0.511 55.534 54.840 0.304 0.000 0.831 152 L CB 0.357 42.549 42.059 0.222 0.000 1.159 152 L HN 0.509 nan 8.230 nan 0.000 0.442 153 L N 7.016 128.343 121.223 0.173 0.000 2.296 153 L HA 0.560 4.900 4.340 -0.000 0.000 0.286 153 L C -0.549 176.366 176.870 0.075 0.000 1.023 153 L CA -0.385 54.522 54.840 0.111 0.000 0.812 153 L CB 1.327 43.442 42.059 0.093 0.000 1.223 153 L HN 0.539 nan 8.230 nan 0.000 0.421 154 I N 2.686 123.310 120.570 0.089 0.000 2.533 154 I HA 0.775 4.945 4.170 -0.000 0.000 0.290 154 I C -0.368 175.803 176.117 0.090 0.000 1.056 154 I CA -0.394 60.955 61.300 0.081 0.000 1.057 154 I CB 2.172 40.226 38.000 0.090 0.000 1.240 154 I HN 0.701 nan 8.210 nan 0.000 0.423 155 A N 3.956 126.825 122.820 0.082 0.000 2.556 155 A HA 0.919 5.239 4.320 -0.000 0.000 0.294 155 A C -0.848 176.785 177.584 0.082 0.000 1.091 155 A CA -0.687 51.404 52.037 0.090 0.000 0.704 155 A CB 1.583 20.639 19.000 0.094 0.000 1.300 155 A HN 0.791 nan 8.150 nan 0.000 0.406 156 A N 0.153 123.028 122.820 0.092 0.000 2.425 156 A HA 0.558 4.878 4.320 -0.000 0.000 0.249 156 A C 1.249 178.873 177.584 0.066 0.000 1.084 156 A CA 0.338 52.432 52.037 0.095 0.000 0.781 156 A CB 0.114 19.183 19.000 0.114 0.000 1.019 156 A HN 2.160 nan 8.150 nan 0.000 0.490 157 A N 1.909 124.771 122.820 0.070 0.000 2.066 157 A HA 0.465 4.785 4.320 -0.000 0.000 0.218 157 A C 1.406 179.013 177.584 0.037 0.000 1.157 157 A CA 1.447 53.507 52.037 0.038 0.000 0.670 157 A CB -0.826 18.206 19.000 0.053 0.000 0.804 157 A HN 2.811 nan 8.150 nan 0.000 0.453 158 G N -1.391 107.458 108.800 0.082 0.000 2.576 158 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 158 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 158 G C -0.599 174.391 174.900 0.151 0.000 1.242 158 G CA -0.207 44.941 45.100 0.080 0.000 0.819 158 G HN 0.227 nan 8.290 nan 0.000 0.655 159 N N 0.204 118.986 118.700 0.137 0.000 2.275 159 N HA 0.323 5.063 4.740 -0.000 0.000 0.236 159 N C 1.607 177.228 175.510 0.185 0.000 1.154 159 N CA 0.519 53.705 53.050 0.226 0.000 0.866 159 N CB 1.176 39.677 38.487 0.024 0.000 1.093 159 N HN 0.946 nan 8.380 nan 0.000 0.515 160 A N 0.383 123.277 122.820 0.123 0.000 2.206 160 A HA 0.288 4.608 4.320 -0.000 0.000 0.211 160 A C 1.644 179.297 177.584 0.115 0.000 1.158 160 A CA 0.760 52.850 52.037 0.090 0.000 0.761 160 A CB -0.460 18.561 19.000 0.036 0.000 0.801 160 A HN 0.321 nan 8.150 nan 0.000 0.473 161 G N 0.156 109.057 108.800 0.168 0.000 2.198 161 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 161 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 161 G C -0.225 174.794 174.900 0.199 0.000 1.025 161 G CA 0.938 46.156 45.100 0.196 0.000 0.769 161 G HN 1.002 nan 8.290 nan 0.000 0.507 162 D N -2.516 117.928 120.400 0.073 0.000 2.837 162 D HA 0.625 5.265 4.640 -0.000 0.000 0.294 162 D C 1.042 176.945 176.300 -0.661 0.000 1.158 162 D CA 0.164 54.107 54.000 -0.094 0.000 1.073 162 D CB 0.036 40.788 40.800 -0.079 0.000 1.419 162 D HN 0.454 nan 8.370 nan 0.000 0.584 163 S N -1.371 113.823 115.700 -0.844 0.000 2.634 163 S HA 0.190 4.660 4.470 -0.000 0.000 0.221 163 S C 0.434 174.636 174.600 -0.663 0.000 0.952 163 S CA -0.086 57.499 58.200 -1.025 0.000 0.930 163 S CB -1.157 61.544 63.200 -0.831 0.000 0.780 163 S HN 0.657 nan 8.310 nan 0.000 0.498 164 S N 1.053 116.491 115.700 -0.437 0.000 2.572 164 S HA 0.353 4.823 4.470 -0.000 0.000 0.279 164 S C -0.623 173.765 174.600 -0.354 0.000 1.341 164 S CA -0.486 57.519 58.200 -0.325 0.000 1.043 164 S CB -0.291 62.824 63.200 -0.142 0.000 0.887 164 S HN 0.350 nan 8.310 nan 0.000 0.516 165 Y N 1.198 121.403 120.300 -0.159 0.000 2.336 165 Y HA 0.427 4.977 4.550 -0.000 0.000 0.335 165 Y C 0.853 176.542 175.900 -0.352 0.000 1.046 165 Y CA -0.335 57.580 58.100 -0.308 0.000 1.198 165 Y CB 1.143 39.390 38.460 -0.355 0.000 1.182 165 Y HN 0.680 nan 8.280 nan 0.000 0.502 166 S N 3.188 118.731 115.700 -0.261 0.000 2.475 166 S HA 0.565 5.035 4.470 -0.000 0.000 0.298 166 S C -1.275 173.054 174.600 -0.452 0.000 1.119 166 S CA -0.702 57.382 58.200 -0.193 0.000 1.085 166 S CB 0.487 63.644 63.200 -0.072 0.000 1.028 166 S HN 0.434 nan 8.310 nan 0.000 0.489 167 Y N 2.456 122.697 120.300 -0.099 0.000 2.487 167 Y HA 0.385 4.935 4.550 -0.000 0.000 0.337 167 Y C -1.442 174.441 175.900 -0.028 0.000 1.076 167 Y CA -2.138 55.841 58.100 -0.201 0.000 1.115 167 Y CB 1.049 39.268 38.460 -0.401 0.000 1.235 167 Y HN 0.452 nan 8.280 nan 0.000 0.468 168 P HA -0.106 nan 4.420 nan 0.000 0.237 168 P C 0.907 178.264 177.300 0.096 0.000 1.178 168 P CA 1.319 64.579 63.100 0.266 0.000 0.766 168 P CB 0.090 32.008 31.700 0.363 0.000 0.876 169 A N 0.978 123.785 122.820 -0.021 0.000 1.948 169 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 169 A C 2.261 179.762 177.584 -0.138 0.000 1.177 169 A CA 2.084 54.090 52.037 -0.052 0.000 0.636 169 A CB -1.515 17.454 19.000 -0.052 0.000 0.815 169 A HN 0.256 nan 8.150 nan 0.000 0.449 170 S N -1.431 114.025 115.700 -0.406 0.000 2.650 170 S HA 0.185 4.655 4.470 -0.000 0.000 0.219 170 S C -0.050 174.392 174.600 -0.263 0.000 0.960 170 S CA -0.233 57.684 58.200 -0.473 0.000 0.925 170 S CB -0.406 62.241 63.200 -0.922 0.000 0.775 170 S HN 0.559 nan 8.310 nan 0.000 0.525 171 Y N 1.637 121.949 120.300 0.019 0.000 2.307 171 Y HA 0.123 4.673 4.550 -0.000 0.000 0.324 171 Y C 1.322 177.210 175.900 -0.020 0.000 1.238 171 Y CA -0.975 57.166 58.100 0.070 0.000 1.280 171 Y CB 0.567 39.089 38.460 0.102 0.000 1.248 171 Y HN 0.040 nan 8.280 nan 0.000 0.508 172 D N 0.003 120.497 120.400 0.155 0.000 2.218 172 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 172 D C 1.827 178.081 176.300 -0.078 0.000 0.976 172 D CA 1.615 55.638 54.000 0.038 0.000 0.853 172 D CB -0.152 40.678 40.800 0.049 0.000 0.939 172 D HN 0.522 nan 8.370 nan 0.000 0.481 173 S N -0.549 115.097 115.700 -0.089 0.000 2.603 173 S HA 0.110 4.580 4.470 -0.000 0.000 0.220 173 S C 0.656 175.007 174.600 -0.415 0.000 0.967 173 S CA -0.327 57.653 58.200 -0.366 0.000 0.920 173 S CB 0.219 63.361 63.200 -0.097 0.000 0.773 173 S HN -0.092 nan 8.310 nan 0.000 0.529 174 V N 2.110 121.931 119.914 -0.155 0.000 2.735 174 V HA 0.430 4.550 4.120 -0.000 0.000 0.310 174 V C -0.235 175.828 176.094 -0.052 0.000 1.061 174 V CA -0.917 61.342 62.300 -0.069 0.000 0.913 174 V CB 1.840 33.706 31.823 0.072 0.000 1.005 174 V HN 0.401 nan 8.190 nan 0.000 0.428 175 M N 3.022 122.607 119.600 -0.026 0.000 2.143 175 M HA 0.246 4.726 4.480 -0.000 0.000 0.348 175 M C 0.352 176.669 176.300 0.028 0.000 1.375 175 M CA 0.372 55.677 55.300 0.008 0.000 1.124 175 M CB 1.084 33.702 32.600 0.030 0.000 1.669 175 M HN 0.684 nan 8.290 nan 0.000 0.469 176 S N 3.734 119.447 115.700 0.022 0.000 2.465 176 S HA 0.421 4.891 4.470 -0.000 0.000 0.279 176 S C -0.498 174.129 174.600 0.045 0.000 1.201 176 S CA -0.749 57.465 58.200 0.023 0.000 1.053 176 S CB 0.311 63.511 63.200 0.000 0.000 0.953 176 S HN 0.490 nan 8.310 nan 0.000 0.488 177 V N 5.024 124.976 119.914 0.063 0.000 2.394 177 V HA 0.720 4.840 4.120 -0.000 0.000 0.282 177 V C 0.623 176.774 176.094 0.096 0.000 1.031 177 V CA -0.654 61.696 62.300 0.083 0.000 0.881 177 V CB 0.973 32.855 31.823 0.098 0.000 0.982 177 V HN 1.017 nan 8.190 nan 0.000 0.451 178 A N 3.960 126.838 122.820 0.097 0.000 2.281 178 A HA 0.953 5.273 4.320 -0.000 0.000 0.329 178 A C 0.091 177.738 177.584 0.106 0.000 1.122 178 A CA -0.286 51.818 52.037 0.112 0.000 0.850 178 A CB 1.253 20.328 19.000 0.126 0.000 1.207 178 A HN 1.251 nan 8.150 nan 0.000 0.495 179 A N 0.032 122.894 122.820 0.069 0.000 2.337 179 A HA 0.711 5.031 4.320 -0.000 0.000 0.329 179 A C -0.172 177.386 177.584 -0.044 0.000 1.146 179 A CA -0.061 52.005 52.037 0.048 0.000 0.800 179 A CB 0.750 19.825 19.000 0.125 0.000 1.220 179 A HN 2.158 nan 8.150 nan 0.000 0.472 180 V N -0.132 119.812 119.914 0.050 0.000 3.102 180 V HA 0.819 4.939 4.120 -0.000 0.000 0.312 180 V C -0.675 175.512 176.094 0.156 0.000 1.135 180 V CA -0.815 61.518 62.300 0.055 0.000 1.022 180 V CB 1.843 33.736 31.823 0.116 0.000 1.056 180 V HN 0.963 nan 8.190 nan 0.000 0.436 181 D N 0.858 121.292 120.400 0.057 0.000 2.529 181 D HA 0.322 4.962 4.640 -0.000 0.000 0.273 181 D C 1.273 177.333 176.300 -0.400 0.000 1.197 181 D CA 0.075 54.056 54.000 -0.032 0.000 1.070 181 D CB 0.915 41.650 40.800 -0.109 0.000 1.134 181 D HN 0.860 nan 8.370 nan 0.000 0.590 182 S N -1.430 113.588 115.700 -1.136 0.000 2.595 182 S HA -0.164 4.306 4.470 -0.000 0.000 0.235 182 S C 0.943 175.312 174.600 -0.385 0.000 0.974 182 S CA 0.710 57.967 58.200 -1.572 0.000 0.942 182 S CB -0.756 61.260 63.200 -1.972 0.000 0.766 182 S HN 0.550 nan 8.310 nan 0.000 0.536 183 N N 0.677 119.259 118.700 -0.197 0.000 2.187 183 N HA 0.317 5.057 4.740 -0.000 0.000 0.212 183 N C 0.351 175.879 175.510 0.031 0.000 1.152 183 N CA -0.064 52.967 53.050 -0.032 0.000 0.872 183 N CB -0.309 38.140 38.487 -0.063 0.000 1.025 183 N HN 0.394 nan 8.380 nan 0.000 0.514 184 L N -0.726 120.538 121.223 0.067 0.000 4.560 184 L HA -0.228 4.112 4.340 -0.000 0.000 0.415 184 L C -1.006 175.898 176.870 0.056 0.000 1.123 184 L CA 0.459 55.364 54.840 0.109 0.000 0.991 184 L CB -1.506 40.622 42.059 0.114 0.000 2.127 184 L HN 0.273 nan 8.230 nan 0.000 0.765 185 D N -0.021 120.387 120.400 0.014 0.000 2.302 185 D HA 0.118 4.758 4.640 -0.000 0.000 0.248 185 D C 0.495 176.800 176.300 0.008 0.000 1.094 185 D CA -0.181 53.823 54.000 0.007 0.000 0.897 185 D CB 0.822 41.606 40.800 -0.027 0.000 1.200 185 D HN 0.155 nan 8.370 nan 0.000 0.429 186 H N 0.887 119.915 119.070 -0.071 0.000 2.964 186 H HA 0.150 4.706 4.556 0.000 0.000 0.328 186 H C -0.697 174.529 175.328 -0.169 0.000 1.030 186 H CA -0.439 55.547 56.048 -0.104 0.000 1.445 186 H CB 0.651 30.350 29.762 -0.106 0.000 1.449 186 H HN 0.335 nan 8.280 nan 0.000 0.581 187 A N 4.400 126.740 122.820 -0.801 0.000 2.454 187 A HA 0.346 4.666 4.320 -0.000 0.000 0.260 187 A C 1.454 178.388 177.584 -1.085 0.000 1.106 187 A CA 0.191 51.682 52.037 -0.909 0.000 0.780 187 A CB -0.077 18.174 19.000 -1.249 0.000 1.044 187 A HN 0.967 nan 8.150 nan 0.000 0.498 188 A N 2.834 125.317 122.820 -0.563 0.000 1.958 188 A HA -0.145 4.175 4.320 -0.000 0.000 0.221 188 A C 1.609 179.093 177.584 -0.166 0.000 1.178 188 A CA 2.092 53.974 52.037 -0.259 0.000 0.642 188 A CB -0.920 18.034 19.000 -0.076 0.000 0.816 188 A HN 1.513 nan 8.150 nan 0.000 0.453 189 F N -1.112 118.816 119.950 -0.037 0.000 2.615 189 F HA 0.297 4.824 4.527 0.000 0.000 0.297 189 F C 1.091 176.914 175.800 0.037 0.000 1.124 189 F CA 0.316 58.333 58.000 0.028 0.000 1.451 189 F CB -0.666 38.366 39.000 0.054 0.000 1.103 189 F HN 0.035 nan 8.300 nan 0.000 0.569 190 S N 1.871 117.388 115.700 -0.304 0.000 2.481 190 S HA 0.045 4.515 4.470 -0.000 0.000 0.282 190 S C 0.116 174.850 174.600 0.225 0.000 1.243 190 S CA -0.449 57.746 58.200 -0.008 0.000 1.078 190 S CB -0.109 62.944 63.200 -0.246 0.000 0.916 190 S HN 0.460 nan 8.310 nan 0.000 0.495 191 Q N 3.201 123.112 119.800 0.185 0.000 2.315 191 Q HA 0.099 4.439 4.340 -0.000 0.000 0.289 191 Q C -0.804 175.263 176.000 0.111 0.000 1.044 191 Q CA 0.411 56.269 55.803 0.092 0.000 0.920 191 Q CB 0.279 29.000 28.738 -0.028 0.000 1.214 191 Q HN 0.750 nan 8.270 nan 0.000 0.392 192 Y N -0.389 119.898 120.300 -0.023 0.000 2.328 192 Y HA 0.681 5.231 4.550 -0.000 0.000 0.337 192 Y C -0.214 175.600 175.900 -0.143 0.000 0.966 192 Y CA -0.974 57.077 58.100 -0.082 0.000 1.136 192 Y CB 1.051 39.429 38.460 -0.136 0.000 1.170 192 Y HN 0.528 nan 8.280 nan 0.000 0.470 193 T N -1.142 113.346 114.554 -0.109 0.000 2.787 193 T HA 0.270 4.620 4.350 -0.000 0.000 0.297 193 T C -0.223 174.455 174.700 -0.037 0.000 1.221 193 T CA -0.587 61.400 62.100 -0.189 0.000 1.006 193 T CB 1.400 70.101 68.868 -0.279 0.000 1.328 193 T HN 0.595 nan 8.240 nan 0.000 0.509 194 D N -0.367 120.049 120.400 0.027 0.000 2.336 194 D HA 0.043 4.683 4.640 -0.000 0.000 0.229 194 D C 1.311 177.645 176.300 0.056 0.000 1.061 194 D CA 0.301 54.329 54.000 0.046 0.000 0.875 194 D CB 0.064 40.906 40.800 0.071 0.000 0.904 194 D HN 0.407 nan 8.370 nan 0.000 0.525 195 Q N 0.088 119.943 119.800 0.093 0.000 2.396 195 Q HA 0.131 4.471 4.340 -0.000 0.000 0.220 195 Q C 0.422 176.424 176.000 0.004 0.000 0.900 195 Q CA 0.041 55.875 55.803 0.052 0.000 0.925 195 Q CB 0.749 29.529 28.738 0.071 0.000 1.065 195 Q HN 0.204 nan 8.270 nan 0.000 0.535 196 V N 2.706 122.616 119.914 -0.005 0.000 2.583 196 V HA -0.156 3.964 4.120 -0.000 0.000 0.302 196 V C 1.418 177.481 176.094 -0.051 0.000 1.033 196 V CA 1.078 63.370 62.300 -0.013 0.000 1.194 196 V CB 0.416 32.236 31.823 -0.005 0.000 0.879 196 V HN 0.350 nan 8.190 nan 0.000 0.482 197 E N 4.151 124.342 120.200 -0.014 0.000 2.332 197 E HA 0.376 4.726 4.350 -0.000 0.000 0.202 197 E C 0.301 176.945 176.600 0.073 0.000 0.877 197 E CA -0.046 56.356 56.400 0.004 0.000 0.979 197 E CB 0.807 30.551 29.700 0.074 0.000 0.969 197 E HN 0.681 nan 8.360 nan 0.000 0.495 198 I N -0.263 120.353 120.570 0.077 0.000 3.093 198 I HA 0.262 4.432 4.170 -0.000 0.000 0.308 198 I C -1.488 174.680 176.117 0.086 0.000 1.303 198 I CA -0.621 60.741 61.300 0.103 0.000 0.975 198 I CB 2.350 40.419 38.000 0.115 0.000 1.286 198 I HN -0.122 nan 8.210 nan 0.000 0.459 199 S N 1.801 117.556 115.700 0.091 0.000 2.607 199 S HA 0.950 5.420 4.470 -0.000 0.000 0.303 199 S C -0.431 174.224 174.600 0.091 0.000 1.086 199 S CA -0.485 57.771 58.200 0.093 0.000 0.995 199 S CB 1.874 65.132 63.200 0.097 0.000 1.084 199 S HN 0.905 nan 8.310 nan 0.000 0.507 200 G N 0.661 109.509 108.800 0.080 0.000 2.684 200 G HA2 0.628 4.588 3.960 -0.000 0.000 0.290 200 G HA3 0.628 4.588 3.960 -0.000 0.000 0.290 200 G C -3.524 171.349 174.900 -0.045 0.000 1.425 200 G CA -1.599 43.515 45.100 0.024 0.000 0.822 200 G HN 0.373 nan 8.290 nan 0.000 0.482 201 P HA 0.212 nan 4.420 nan 0.000 0.262 201 P C 0.657 177.869 177.300 -0.147 0.000 1.199 201 P CA 0.642 63.476 63.100 -0.442 0.000 0.763 201 P CB 1.067 31.876 31.700 -1.485 0.000 0.790 202 G N 2.013 110.901 108.800 0.147 0.000 3.581 202 G HA2 0.099 4.059 3.960 -0.000 0.000 0.248 202 G HA3 0.099 4.059 3.960 -0.000 0.000 0.248 202 G C -0.154 174.973 174.900 0.377 0.000 1.037 202 G CA 0.139 45.390 45.100 0.253 0.000 0.902 202 G HN 0.421 nan 8.290 nan 0.000 0.512 203 E N 0.703 121.144 120.200 0.402 0.000 2.210 203 E HA 0.578 4.928 4.350 -0.000 0.000 0.266 203 E C 0.269 177.127 176.600 0.430 0.000 0.883 203 E CA -0.018 56.606 56.400 0.375 0.000 0.761 203 E CB 1.369 31.218 29.700 0.248 0.000 1.156 203 E HN 0.885 nan 8.360 nan 0.000 0.412 204 A N 4.933 127.968 122.820 0.357 0.000 2.416 204 A HA -0.136 4.184 4.320 -0.000 0.000 0.293 204 A C -0.480 177.497 177.584 0.654 0.000 1.452 204 A CA 0.612 52.928 52.037 0.464 0.000 0.738 204 A CB -1.826 17.342 19.000 0.280 0.000 1.123 204 A HN 0.396 nan 8.150 nan 0.000 0.389 205 I N 1.170 121.997 120.570 0.430 0.000 2.307 205 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 205 I C 0.292 176.431 176.117 0.037 0.000 1.021 205 I CA -0.797 60.620 61.300 0.194 0.000 1.224 205 I CB 1.042 39.163 38.000 0.202 0.000 1.376 205 I HN 0.539 nan 8.210 nan 0.000 0.470 206 L N 6.695 127.712 121.223 -0.343 0.000 2.331 206 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 206 L C 0.178 176.786 176.870 -0.438 0.000 1.106 206 L CA 1.007 55.458 54.840 -0.648 0.000 0.824 206 L CB 1.040 42.536 42.059 -0.938 0.000 1.142 206 L HN 0.715 nan 8.230 nan 0.000 0.443 207 S N 1.648 117.044 115.700 -0.507 0.000 2.727 207 S HA 0.629 5.099 4.470 -0.000 0.000 0.278 207 S C -0.852 173.504 174.600 -0.407 0.000 1.186 207 S CA -0.093 57.715 58.200 -0.654 0.000 0.836 207 S CB 0.987 63.371 63.200 -1.360 0.000 1.186 207 S HN 0.913 nan 8.310 nan 0.000 0.499 208 T N 0.415 114.717 114.554 -0.421 0.000 2.918 208 T HA 0.608 4.958 4.350 -0.000 0.000 0.302 208 T C 0.288 174.724 174.700 -0.440 0.000 1.045 208 T CA -0.080 61.717 62.100 -0.504 0.000 1.114 208 T CB 0.416 68.791 68.868 -0.821 0.000 0.965 208 T HN 1.348 nan 8.240 nan 0.000 0.540 209 V N -1.163 118.565 119.914 -0.309 0.000 3.130 209 V HA 0.665 4.785 4.120 -0.000 0.000 0.310 209 V C 0.081 176.142 176.094 -0.054 0.000 1.158 209 V CA -1.352 60.863 62.300 -0.142 0.000 1.029 209 V CB 1.236 33.033 31.823 -0.043 0.000 1.057 209 V HN 0.991 nan 8.190 nan 0.000 0.436 210 T N 2.010 116.557 114.554 -0.012 0.000 2.891 210 T HA 0.161 4.511 4.350 -0.000 0.000 0.296 210 T C 0.402 175.097 174.700 -0.010 0.000 1.025 210 T CA 0.193 62.295 62.100 0.005 0.000 1.149 210 T CB 0.195 69.073 68.868 0.018 0.000 1.007 210 T HN 0.862 nan 8.240 nan 0.000 0.528 211 V N 4.203 124.095 119.914 -0.037 0.000 2.625 211 V HA 0.195 4.315 4.120 -0.000 0.000 0.305 211 V C 1.751 177.804 176.094 -0.067 0.000 1.055 211 V CA 1.611 63.843 62.300 -0.114 0.000 1.209 211 V CB -0.280 31.453 31.823 -0.150 0.000 0.877 211 V HN 1.295 nan 8.190 nan 0.000 0.489 212 G N 3.705 112.464 108.800 -0.068 0.000 2.205 212 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.261 212 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.261 212 G C 0.545 175.449 174.900 0.006 0.000 0.980 212 G CA 0.472 45.557 45.100 -0.026 0.000 0.632 212 G HN 0.737 nan 8.290 nan 0.000 0.533 213 E N 0.463 120.672 120.200 0.015 0.000 2.472 213 E HA 0.314 4.664 4.350 -0.000 0.000 0.196 213 E C 1.777 178.424 176.600 0.078 0.000 1.033 213 E CA 0.164 56.592 56.400 0.047 0.000 0.886 213 E CB 0.443 30.177 29.700 0.056 0.000 0.944 213 E HN 0.539 nan 8.360 nan 0.000 0.492 214 G N 1.117 109.959 108.800 0.070 0.000 2.543 214 G HA2 0.420 4.380 3.960 -0.000 0.000 0.290 214 G HA3 0.420 4.380 3.960 -0.000 0.000 0.290 214 G C -0.408 174.571 174.900 0.132 0.000 1.310 214 G CA -0.421 44.747 45.100 0.113 0.000 1.025 214 G HN 0.005 nan 8.290 nan 0.000 0.502 215 R N -1.143 119.461 120.500 0.175 0.000 2.604 215 R HA 0.554 4.894 4.340 -0.000 0.000 0.270 215 R C -1.600 174.841 176.300 0.234 0.000 1.052 215 R CA -0.582 55.623 56.100 0.176 0.000 0.902 215 R CB 1.380 31.773 30.300 0.155 0.000 1.233 215 R HN 0.461 nan 8.270 nan 0.000 0.455 216 L N 1.530 122.891 121.223 0.231 0.000 2.322 216 L HA 0.918 5.258 4.340 -0.000 0.000 0.252 216 L C -0.821 176.190 176.870 0.235 0.000 1.055 216 L CA -1.057 53.965 54.840 0.303 0.000 0.849 216 L CB 2.300 44.597 42.059 0.397 0.000 1.446 216 L HN 0.823 nan 8.230 nan 0.000 0.416 217 A N 0.063 123.033 122.820 0.251 0.000 2.527 217 A HA 0.837 5.157 4.320 -0.000 0.000 0.293 217 A C -1.978 175.746 177.584 0.233 0.000 1.117 217 A CA -0.317 51.817 52.037 0.161 0.000 0.723 217 A CB 2.153 21.178 19.000 0.041 0.000 1.313 217 A HN 0.635 nan 8.150 nan 0.000 0.411 218 D N -0.653 119.851 120.400 0.173 0.000 2.623 218 D HA 0.611 5.251 4.640 -0.000 0.000 0.241 218 D C -1.690 174.697 176.300 0.144 0.000 1.241 218 D CA -0.113 54.018 54.000 0.219 0.000 0.788 218 D CB 1.588 42.529 40.800 0.234 0.000 1.413 218 D HN 0.443 nan 8.370 nan 0.000 0.429 219 I N 1.363 122.046 120.570 0.188 0.000 2.534 219 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 219 I C -0.631 175.655 176.117 0.281 0.000 1.077 219 I CA -0.425 60.987 61.300 0.186 0.000 1.051 219 I CB 2.382 40.460 38.000 0.129 0.000 1.234 219 I HN 0.112 nan 8.210 nan 0.000 0.425 220 T N 6.928 121.598 114.554 0.192 0.000 2.848 220 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 220 T C -0.463 174.318 174.700 0.134 0.000 0.995 220 T CA -0.414 61.772 62.100 0.143 0.000 0.970 220 T CB 1.636 70.551 68.868 0.078 0.000 0.976 220 T HN 0.283 nan 8.240 nan 0.000 0.441 221 I N 1.436 122.072 120.570 0.110 0.000 2.571 221 I HA 0.485 4.655 4.170 -0.000 0.000 0.289 221 I C 0.832 176.965 176.117 0.028 0.000 1.115 221 I CA -0.777 60.580 61.300 0.095 0.000 1.045 221 I CB 2.040 40.149 38.000 0.181 0.000 1.238 221 I HN 0.898 nan 8.210 nan 0.000 0.424 222 G N 3.929 112.743 108.800 0.022 0.000 2.249 222 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.273 222 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.273 222 G C 0.989 175.882 174.900 -0.011 0.000 1.036 222 G CA 0.641 45.742 45.100 0.003 0.000 0.824 222 G HN 1.707 nan 8.290 nan 0.000 0.504 223 G N -2.280 106.516 108.800 -0.005 0.000 2.168 223 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.263 223 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.263 223 G C 0.221 175.102 174.900 -0.031 0.000 0.977 223 G CA 1.232 46.325 45.100 -0.012 0.000 0.659 223 G HN 1.158 nan 8.290 nan 0.000 0.533 224 Q N -0.062 119.706 119.800 -0.054 0.000 2.345 224 Q HA 0.667 5.007 4.340 -0.000 0.000 0.268 224 Q C -0.229 175.695 176.000 -0.128 0.000 1.054 224 Q CA -0.294 55.447 55.803 -0.103 0.000 0.835 224 Q CB 1.940 30.585 28.738 -0.155 0.000 1.339 224 Q HN 0.312 nan 8.270 nan 0.000 0.447 225 S N 0.800 116.435 115.700 -0.107 0.000 2.525 225 S HA 0.425 4.895 4.470 -0.000 0.000 0.290 225 S C -0.419 174.134 174.600 -0.079 0.000 1.152 225 S CA -0.288 57.895 58.200 -0.029 0.000 1.072 225 S CB 0.402 63.639 63.200 0.060 0.000 1.027 225 S HN 0.531 nan 8.310 nan 0.000 0.500 226 Y N 3.509 123.866 120.300 0.096 0.000 2.493 226 Y HA 0.234 4.784 4.550 -0.000 0.000 0.275 226 Y C 1.148 177.110 175.900 0.103 0.000 1.183 226 Y CA -0.381 57.763 58.100 0.073 0.000 1.258 226 Y CB -0.273 38.203 38.460 0.027 0.000 1.108 226 Y HN 0.870 nan 8.280 nan 0.000 0.521 227 F N 1.252 121.283 119.950 0.134 0.000 2.087 227 F HA -0.365 4.162 4.527 -0.000 0.000 0.299 227 F C 2.578 178.450 175.800 0.119 0.000 1.100 227 F CA 2.111 60.179 58.000 0.114 0.000 1.226 227 F CB -0.331 38.710 39.000 0.070 0.000 0.983 227 F HN 0.109 nan 8.300 nan 0.000 0.479 228 S N -0.468 115.404 115.700 0.287 0.000 2.474 228 S HA -0.161 4.309 4.470 -0.000 0.000 0.235 228 S C 1.491 176.157 174.600 0.110 0.000 0.997 228 S CA 1.279 59.592 58.200 0.188 0.000 0.949 228 S CB -0.804 62.503 63.200 0.178 0.000 0.766 228 S HN 0.502 nan 8.310 nan 0.000 0.517 229 N N 1.720 120.487 118.700 0.112 0.000 2.409 229 N HA 0.305 5.045 4.740 -0.000 0.000 0.179 229 N C 0.686 176.219 175.510 0.038 0.000 1.032 229 N CA 0.967 54.076 53.050 0.100 0.000 0.898 229 N CB -0.061 38.523 38.487 0.161 0.000 0.971 229 N HN 0.683 nan 8.380 nan 0.000 0.441 230 G N -0.361 108.427 108.800 -0.021 0.000 3.238 230 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.684 230 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.684 230 G C -1.237 173.552 174.900 -0.184 0.000 1.156 230 G CA -0.743 44.317 45.100 -0.067 0.000 1.048 230 G HN 0.058 nan 8.290 nan 0.000 0.462 231 V N 2.984 122.729 119.914 -0.281 0.000 2.409 231 V HA 0.573 4.693 4.120 -0.000 0.000 0.290 231 V C 0.485 176.339 176.094 -0.399 0.000 1.017 231 V CA -0.908 61.235 62.300 -0.261 0.000 0.841 231 V CB 1.806 33.560 31.823 -0.114 0.000 1.003 231 V HN 0.827 nan 8.190 nan 0.000 0.426 232 V N 7.886 127.519 119.914 -0.468 0.000 2.383 232 V HA 0.373 4.493 4.120 -0.000 0.000 0.275 232 V C -1.965 173.978 176.094 -0.251 0.000 1.036 232 V CA -1.868 60.130 62.300 -0.502 0.000 0.889 232 V CB 1.835 33.344 31.823 -0.524 0.000 0.985 232 V HN 0.689 nan 8.190 nan 0.000 0.459 233 P HA 0.078 nan 4.420 nan 0.000 0.271 233 P C -0.393 176.909 177.300 0.003 0.000 1.220 233 P CA -0.234 62.843 63.100 -0.038 0.000 0.768 233 P CB 0.409 32.141 31.700 0.053 0.000 0.848 234 H N 2.425 121.478 119.070 -0.027 0.000 3.107 234 H HA -0.032 4.524 4.556 -0.000 0.000 0.301 234 H C 0.932 176.246 175.328 -0.023 0.000 0.981 234 H CA 0.632 56.660 56.048 -0.033 0.000 1.443 234 H CB -0.558 29.191 29.762 -0.022 0.000 1.479 234 H HN 0.465 nan 8.280 nan 0.000 0.564 235 N N 4.317 123.072 118.700 0.092 0.000 2.819 235 N HA -0.025 4.715 4.740 -0.000 0.000 0.284 235 N C 0.124 175.650 175.510 0.026 0.000 1.196 235 N CA -0.312 52.747 53.050 0.015 0.000 1.114 235 N CB 0.193 38.604 38.487 -0.127 0.000 1.437 235 N HN 0.408 nan 8.380 nan 0.000 0.518 236 R N 3.473 123.997 120.500 0.039 0.000 2.389 236 R HA 0.259 4.599 4.340 -0.000 0.000 0.295 236 R C -0.863 175.451 176.300 0.023 0.000 1.075 236 R CA -0.009 56.098 56.100 0.011 0.000 1.005 236 R CB 0.552 30.866 30.300 0.024 0.000 0.987 236 R HN 0.430 nan 8.270 nan 0.000 0.452 237 L N 3.875 125.087 121.223 -0.019 0.000 2.386 237 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 237 L C -0.303 176.605 176.870 0.063 0.000 0.993 237 L CA -0.878 53.960 54.840 -0.003 0.000 0.819 237 L CB 2.306 44.285 42.059 -0.134 0.000 1.294 237 L HN 0.824 nan 8.230 nan 0.000 0.414 238 T N -0.809 113.875 114.554 0.217 0.000 2.906 238 T HA 0.594 4.944 4.350 -0.000 0.000 0.295 238 T C -2.923 171.948 174.700 0.285 0.000 1.075 238 T CA -2.339 59.933 62.100 0.286 0.000 1.005 238 T CB 2.064 71.005 68.868 0.121 0.000 1.136 238 T HN 0.279 nan 8.240 nan 0.000 0.498 239 P HA 0.174 nan 4.420 nan 0.000 0.264 239 P C -0.393 176.821 177.300 -0.143 0.000 1.183 239 P CA 0.086 63.005 63.100 -0.303 0.000 0.763 239 P CB 0.735 32.269 31.700 -0.277 0.000 0.807 240 S N 2.306 117.903 115.700 -0.170 0.000 2.293 240 S HA 0.528 4.998 4.470 -0.000 0.000 0.154 240 S C 0.451 174.991 174.600 -0.100 0.000 1.602 240 S CA 0.352 58.498 58.200 -0.090 0.000 1.260 240 S CB -0.887 62.288 63.200 -0.042 0.000 1.270 240 S HN 0.934 nan 8.310 nan 0.000 0.416 241 G N 2.570 111.309 108.800 -0.103 0.000 2.552 241 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 241 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 241 G C 0.747 175.578 174.900 -0.114 0.000 1.174 241 G CA 0.323 45.370 45.100 -0.088 0.000 0.955 241 G HN 1.073 nan 8.290 nan 0.000 0.546 242 T N 1.222 115.720 114.554 -0.094 0.000 3.235 242 T HA 0.579 4.929 4.350 -0.000 0.000 0.251 242 T C 0.742 175.372 174.700 -0.117 0.000 1.060 242 T CA 1.732 63.775 62.100 -0.095 0.000 0.949 242 T CB -1.207 67.625 68.868 -0.060 0.000 1.020 242 T HN 1.905 nan 8.240 nan 0.000 0.564 243 S N -0.961 114.640 115.700 -0.165 0.000 2.815 243 S HA 0.598 5.068 4.470 -0.000 0.000 0.296 243 S C -1.801 172.626 174.600 -0.288 0.000 1.224 243 S CA -0.967 57.129 58.200 -0.174 0.000 0.938 243 S CB 0.892 64.050 63.200 -0.070 0.000 1.285 243 S HN 0.118 nan 8.310 nan 0.000 0.549 244 Y N 0.441 120.689 120.300 -0.086 0.000 2.446 244 Y HA 0.833 5.383 4.550 0.000 0.000 0.338 244 Y C 0.396 176.250 175.900 -0.077 0.000 1.055 244 Y CA 0.073 58.119 58.100 -0.090 0.000 1.101 244 Y CB 2.121 40.498 38.460 -0.137 0.000 1.221 244 Y HN 1.123 nan 8.280 nan 0.000 0.460 245 A N 3.485 126.389 122.820 0.139 0.000 2.498 245 A HA 0.726 5.046 4.320 -0.000 0.000 0.298 245 A C -2.983 174.647 177.584 0.077 0.000 1.075 245 A CA -2.053 50.026 52.037 0.071 0.000 0.714 245 A CB 1.446 20.467 19.000 0.036 0.000 1.299 245 A HN 0.432 nan 8.150 nan 0.000 0.407 246 P HA 0.322 nan 4.420 nan 0.000 0.267 246 P C -0.354 176.978 177.300 0.054 0.000 1.205 246 P CA 0.384 63.519 63.100 0.059 0.000 0.765 246 P CB 1.145 32.877 31.700 0.055 0.000 0.828 247 A N 5.167 128.019 122.820 0.054 0.000 3.370 247 A HA 0.425 4.745 4.320 -0.000 0.000 0.295 247 A C -2.408 175.204 177.584 0.047 0.000 1.030 247 A CA -1.296 50.769 52.037 0.048 0.000 0.883 247 A CB 0.431 19.461 19.000 0.049 0.000 1.191 247 A HN 0.355 nan 8.150 nan 0.000 0.507 248 P HA 0.242 nan 4.420 nan 0.000 0.271 248 P C -0.510 176.821 177.300 0.052 0.000 1.216 248 P CA 0.074 63.208 63.100 0.057 0.000 0.776 248 P CB 1.206 32.943 31.700 0.062 0.000 0.881 249 I N 3.551 124.155 120.570 0.056 0.000 2.330 249 I HA 0.206 4.376 4.170 -0.000 0.000 0.286 249 I C 0.253 176.401 176.117 0.052 0.000 1.025 249 I CA -0.425 60.904 61.300 0.049 0.000 1.197 249 I CB 0.057 38.086 38.000 0.049 0.000 1.358 249 I HN 0.219 nan 8.210 nan 0.000 0.467 250 N N 6.458 125.187 118.700 0.048 0.000 2.501 250 N HA 0.733 5.473 4.740 -0.000 0.000 0.245 250 N C -0.351 175.184 175.510 0.042 0.000 0.974 250 N CA -0.142 52.938 53.050 0.050 0.000 0.941 250 N CB 2.390 40.908 38.487 0.053 0.000 1.122 250 N HN 0.736 nan 8.380 nan 0.000 0.507 251 A N 0.883 123.728 122.820 0.042 0.000 2.511 251 A HA 0.741 5.061 4.320 -0.000 0.000 0.293 251 A C -1.115 176.490 177.584 0.036 0.000 1.098 251 A CA -0.588 51.471 52.037 0.036 0.000 0.643 251 A CB 0.905 19.924 19.000 0.031 0.000 1.302 251 A HN 0.308 nan 8.150 nan 0.000 0.446 252 S N -0.765 114.954 115.700 0.032 0.000 2.536 252 S HA 0.866 5.336 4.470 -0.000 0.000 0.298 252 S C -0.374 174.242 174.600 0.027 0.000 1.083 252 S CA 0.098 58.317 58.200 0.032 0.000 0.995 252 S CB 1.730 64.949 63.200 0.033 0.000 1.058 252 S HN 1.935 nan 8.310 nan 0.000 0.488 253 A N 1.815 124.652 122.820 0.027 0.000 2.422 253 A HA 0.818 5.138 4.320 -0.000 0.000 0.302 253 A C -0.689 176.909 177.584 0.024 0.000 1.041 253 A CA -0.676 51.375 52.037 0.023 0.000 0.708 253 A CB 1.481 20.493 19.000 0.021 0.000 1.257 253 A HN 0.595 nan 8.150 nan 0.000 0.414 254 T N 0.619 115.187 114.554 0.022 0.000 2.861 254 T HA 0.849 5.199 4.350 -0.000 0.000 0.287 254 T C 0.025 174.737 174.700 0.020 0.000 1.003 254 T CA 0.055 62.169 62.100 0.023 0.000 0.977 254 T CB 1.848 70.729 68.868 0.022 0.000 0.996 254 T HN 1.848 nan 8.240 nan 0.000 0.448 255 G N 0.678 109.490 108.800 0.020 0.000 2.356 255 G HA2 0.601 4.561 3.960 -0.000 0.000 0.294 255 G HA3 0.601 4.561 3.960 -0.000 0.000 0.294 255 G C -1.308 173.603 174.900 0.018 0.000 1.423 255 G CA -0.394 44.717 45.100 0.018 0.000 0.806 255 G HN 0.894 nan 8.290 nan 0.000 0.527 256 A N -0.372 122.458 122.820 0.016 0.000 2.477 256 A HA 0.538 4.858 4.320 -0.000 0.000 0.246 256 A C 0.228 177.821 177.584 0.015 0.000 1.078 256 A CA -0.073 51.973 52.037 0.016 0.000 0.770 256 A CB 0.611 19.619 19.000 0.015 0.000 1.011 256 A HN 1.645 nan 8.150 nan 0.000 0.494 257 L N 2.625 123.857 121.223 0.015 0.000 2.360 257 L HA 0.539 4.879 4.340 -0.000 0.000 0.276 257 L C 0.341 177.218 176.870 0.011 0.000 1.121 257 L CA 0.811 55.657 54.840 0.010 0.000 0.845 257 L CB 0.462 42.523 42.059 0.003 0.000 1.143 257 L HN 0.857 nan 8.230 nan 0.000 0.452 258 A N 4.814 127.643 122.820 0.014 0.000 2.475 258 A HA 0.651 4.971 4.320 -0.000 0.000 0.301 258 A C -1.030 176.573 177.584 0.032 0.000 1.059 258 A CA -0.669 51.380 52.037 0.021 0.000 0.710 258 A CB 1.169 20.182 19.000 0.022 0.000 1.288 258 A HN 0.717 nan 8.150 nan 0.000 0.408 259 E N 0.804 121.029 120.200 0.042 0.000 2.183 259 E HA 0.441 4.791 4.350 -0.000 0.000 0.271 259 E C -1.032 175.618 176.600 0.083 0.000 0.919 259 E CA -0.552 55.891 56.400 0.071 0.000 0.781 259 E CB 1.512 31.258 29.700 0.077 0.000 1.140 259 E HN 0.718 nan 8.360 nan 0.000 0.402 260 c N 4.988 123.654 118.600 0.109 0.000 2.256 260 c HA 0.348 4.918 4.570 -0.000 0.000 0.333 260 c C 0.212 174.391 174.090 0.148 0.000 1.183 260 c CA -0.257 56.150 56.329 0.128 0.000 1.692 260 c CB -1.120 41.479 42.510 0.148 0.000 2.274 260 c HN 0.739 nan 8.230 nan 0.000 0.509 261 T N 5.363 119.981 114.554 0.106 0.000 2.916 261 T HA 0.233 4.583 4.350 -0.000 0.000 0.303 261 T C 0.049 174.766 174.700 0.028 0.000 1.025 261 T CA -0.003 62.138 62.100 0.068 0.000 1.142 261 T CB 0.656 69.549 68.868 0.040 0.000 0.947 261 T HN 0.564 nan 8.240 nan 0.000 0.544 262 V N 5.336 125.226 119.914 -0.040 0.000 2.347 262 V HA 0.346 4.466 4.120 -0.000 0.000 0.280 262 V C -0.045 175.952 176.094 -0.162 0.000 1.021 262 V CA -0.870 61.315 62.300 -0.192 0.000 0.847 262 V CB 1.012 32.695 31.823 -0.232 0.000 0.990 262 V HN 0.790 nan 8.190 nan 0.000 0.444 263 N N 4.455 123.042 118.700 -0.189 0.000 2.524 263 N HA 0.504 5.244 4.740 -0.000 0.000 0.261 263 N C 0.704 176.123 175.510 -0.151 0.000 0.998 263 N CA 0.570 53.544 53.050 -0.127 0.000 0.915 263 N CB 1.996 40.436 38.487 -0.078 0.000 1.187 263 N HN 0.895 nan 8.380 nan 0.000 0.507 264 G N 2.488 111.207 108.800 -0.135 0.000 2.675 264 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.312 264 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.312 264 G C 0.627 175.421 174.900 -0.176 0.000 1.186 264 G CA 1.157 46.183 45.100 -0.124 0.000 0.965 264 G HN 0.653 nan 8.290 nan 0.000 0.548 265 T N -1.740 112.711 114.554 -0.171 0.000 3.091 265 T HA 0.616 4.966 4.350 -0.000 0.000 0.277 265 T C 0.665 175.215 174.700 -0.250 0.000 0.996 265 T CA 1.139 63.120 62.100 -0.199 0.000 0.897 265 T CB 0.103 68.915 68.868 -0.092 0.000 1.109 265 T HN 1.824 nan 8.240 nan 0.000 0.534 266 S N 0.699 116.244 115.700 -0.258 0.000 2.593 266 S HA 0.809 5.279 4.470 -0.000 0.000 0.297 266 S C -0.934 173.480 174.600 -0.309 0.000 1.112 266 S CA -0.816 57.286 58.200 -0.163 0.000 1.043 266 S CB 0.857 64.030 63.200 -0.045 0.000 1.054 266 S HN 0.188 nan 8.310 nan 0.000 0.516 267 F N 0.842 120.787 119.950 -0.009 0.000 2.492 267 F HA 0.649 5.177 4.527 0.000 0.000 0.327 267 F C 0.870 176.670 175.800 -0.001 0.000 1.079 267 F CA -0.810 57.186 58.000 -0.007 0.000 0.967 267 F CB 2.185 41.181 39.000 -0.007 0.000 1.169 267 F HN 0.643 nan 8.300 nan 0.000 0.472 268 S N 1.182 116.989 115.700 0.178 0.000 2.252 268 S HA 0.294 4.764 4.470 -0.000 0.000 0.187 268 S C 0.220 174.883 174.600 0.104 0.000 1.587 268 S CA -0.530 57.733 58.200 0.105 0.000 1.215 268 S CB -0.257 62.977 63.200 0.058 0.000 1.085 268 S HN 0.813 nan 8.310 nan 0.000 0.466 269 c N 2.245 120.906 118.600 0.103 0.000 2.507 269 c HA 0.464 5.034 4.570 -0.000 0.000 0.280 269 c C 2.000 176.117 174.090 0.046 0.000 1.345 269 c CA 0.474 56.846 56.329 0.071 0.000 1.736 269 c CB -1.546 40.991 42.510 0.045 0.000 2.060 269 c HN 1.073 nan 8.230 nan 0.000 0.498 270 G N 1.114 109.938 108.800 0.040 0.000 2.528 270 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.262 270 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.262 270 G C -0.326 174.587 174.900 0.021 0.000 1.200 270 G CA 0.325 45.443 45.100 0.029 0.000 0.951 270 G HN 0.581 nan 8.290 nan 0.000 0.566 271 N N 0.700 119.411 118.700 0.018 0.000 2.485 271 N HA 0.559 5.299 4.740 -0.000 0.000 0.243 271 N C 1.188 176.706 175.510 0.013 0.000 0.987 271 N CA -0.450 52.608 53.050 0.013 0.000 0.940 271 N CB 0.515 39.009 38.487 0.012 0.000 1.122 271 N HN 0.374 nan 8.380 nan 0.000 0.509 272 M N 1.696 121.303 119.600 0.011 0.000 2.495 272 M HA 0.255 4.735 4.480 -0.000 0.000 0.237 272 M C 0.328 176.634 176.300 0.009 0.000 1.131 272 M CA -0.208 55.098 55.300 0.011 0.000 1.032 272 M CB -0.950 31.655 32.600 0.008 0.000 1.513 272 M HN 0.576 nan 8.290 nan 0.000 0.488 273 A N 2.086 124.911 122.820 0.008 0.000 2.567 273 A HA 0.063 4.383 4.320 -0.000 0.000 0.240 273 A C 0.968 178.558 177.584 0.009 0.000 1.053 273 A CA 0.337 52.378 52.037 0.008 0.000 0.755 273 A CB -0.215 18.789 19.000 0.007 0.000 0.978 273 A HN 0.716 nan 8.150 nan 0.000 0.507 274 N N -0.269 118.436 118.700 0.009 0.000 2.753 274 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 274 N C -0.342 175.175 175.510 0.012 0.000 1.097 274 N CA 2.019 55.076 53.050 0.011 0.000 0.786 274 N CB -1.092 37.401 38.487 0.010 0.000 1.137 274 N HN 0.848 nan 8.380 nan 0.000 0.566 275 K N 0.125 120.532 120.400 0.012 0.000 2.350 275 K HA 0.559 4.879 4.320 -0.000 0.000 0.241 275 K C -0.035 176.573 176.600 0.013 0.000 0.994 275 K CA -0.856 55.438 56.287 0.013 0.000 0.839 275 K CB 1.751 34.260 32.500 0.014 0.000 1.244 275 K HN -0.148 nan 8.250 nan 0.000 0.443 276 I N 1.690 122.269 120.570 0.014 0.000 2.304 276 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 276 I C -0.025 176.100 176.117 0.013 0.000 1.018 276 I CA -0.702 60.605 61.300 0.012 0.000 1.260 276 I CB 0.723 38.729 38.000 0.010 0.000 1.390 276 I HN 0.627 nan 8.210 nan 0.000 0.475 277 c N 8.559 127.168 118.600 0.016 0.000 2.303 277 c HA 0.471 5.041 4.570 -0.000 0.000 0.341 277 c C 0.096 174.209 174.090 0.038 0.000 1.244 277 c CA -0.587 55.757 56.329 0.026 0.000 1.765 277 c CB -0.277 42.245 42.510 0.020 0.000 2.379 277 c HN 0.620 nan 8.230 nan 0.000 0.530 278 L N 7.403 128.659 121.223 0.055 0.000 2.289 278 L HA 0.800 5.140 4.340 -0.000 0.000 0.285 278 L C -0.386 176.588 176.870 0.173 0.000 1.049 278 L CA 0.379 55.278 54.840 0.097 0.000 0.804 278 L CB 1.427 43.518 42.059 0.053 0.000 1.195 278 L HN 0.565 nan 8.230 nan 0.000 0.428 279 V N 5.180 125.226 119.914 0.220 0.000 2.851 279 V HA 0.403 4.523 4.120 -0.000 0.000 0.307 279 V C -0.687 175.362 176.094 -0.075 0.000 1.129 279 V CA -0.640 61.756 62.300 0.159 0.000 0.932 279 V CB 2.065 33.957 31.823 0.114 0.000 1.024 279 V HN 0.928 nan 8.190 nan 0.000 0.426 280 E N 5.120 125.108 120.200 -0.353 0.000 2.354 280 E HA 0.266 4.616 4.350 -0.000 0.000 0.269 280 E C 0.102 176.494 176.600 -0.348 0.000 1.036 280 E CA -0.573 55.279 56.400 -0.914 0.000 0.876 280 E CB 0.746 30.014 29.700 -0.720 0.000 1.009 280 E HN 0.682 nan 8.360 nan 0.000 0.416 281 R N 3.261 123.566 120.500 -0.326 0.000 2.489 281 R HA 0.112 4.452 4.340 -0.000 0.000 0.287 281 R C -1.140 175.113 176.300 -0.079 0.000 1.053 281 R CA -0.293 55.739 56.100 -0.114 0.000 1.036 281 R CB 0.555 30.802 30.300 -0.088 0.000 0.966 281 R HN 0.281 nan 8.270 nan 0.000 0.432 282 V N 5.596 125.518 119.914 0.012 0.000 2.333 282 V HA 0.518 4.638 4.120 -0.000 0.000 0.274 282 V C 0.717 176.813 176.094 0.003 0.000 1.028 282 V CA 0.546 62.844 62.300 -0.004 0.000 0.851 282 V CB 0.523 32.377 31.823 0.051 0.000 1.000 282 V HN 1.160 nan 8.190 nan 0.000 0.456 283 G N 5.398 114.181 108.800 -0.029 0.000 2.728 283 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.294 283 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.294 283 G C -0.866 174.018 174.900 -0.027 0.000 1.342 283 G CA -0.311 44.773 45.100 -0.026 0.000 0.866 283 G HN 0.802 nan 8.290 nan 0.000 0.534 284 N N -0.964 117.717 118.700 -0.031 0.000 2.484 284 N HA 0.460 5.200 4.740 -0.000 0.000 0.269 284 N C -0.528 174.958 175.510 -0.040 0.000 1.237 284 N CA -0.708 52.325 53.050 -0.028 0.000 0.838 284 N CB 1.970 40.436 38.487 -0.034 0.000 1.593 284 N HN 0.892 nan 8.380 nan 0.000 0.485 285 Q N 0.501 120.291 119.800 -0.017 0.000 2.364 285 Q HA 0.443 4.783 4.340 -0.000 0.000 0.267 285 Q C 0.067 176.017 176.000 -0.083 0.000 0.999 285 Q CA 0.799 56.575 55.803 -0.045 0.000 0.886 285 Q CB 0.447 29.243 28.738 0.097 0.000 1.243 285 Q HN 0.823 nan 8.270 nan 0.000 0.415 286 G N 0.966 109.647 108.800 -0.199 0.000 2.440 286 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.114 286 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.114 286 G C 0.383 175.153 174.900 -0.216 0.000 0.940 286 G CA 0.228 45.245 45.100 -0.138 0.000 1.305 286 G HN 0.691 nan 8.290 nan 0.000 0.525 287 S N 0.213 115.810 115.700 -0.172 0.000 2.481 287 S HA 0.361 4.831 4.470 -0.000 0.000 0.231 287 S C 1.167 175.622 174.600 -0.242 0.000 0.996 287 S CA 1.495 59.603 58.200 -0.153 0.000 0.942 287 S CB -0.304 62.844 63.200 -0.087 0.000 0.768 287 S HN 1.811 nan 8.310 nan 0.000 0.520 288 S N -0.639 114.849 115.700 -0.353 0.000 2.794 288 S HA 0.693 5.163 4.470 -0.000 0.000 0.299 288 S C -1.724 172.490 174.600 -0.643 0.000 1.179 288 S CA -1.007 56.957 58.200 -0.393 0.000 0.838 288 S CB 0.490 63.606 63.200 -0.140 0.000 1.206 288 S HN 0.191 nan 8.310 nan 0.000 0.523 289 Y N 1.404 121.700 120.300 -0.008 0.000 2.787 289 Y HA 0.446 4.996 4.550 0.000 0.000 0.352 289 Y C -1.953 173.932 175.900 -0.024 0.000 1.027 289 Y CA -1.737 56.358 58.100 -0.007 0.000 1.219 289 Y CB 1.449 39.889 38.460 -0.033 0.000 1.110 289 Y HN 0.556 nan 8.280 nan 0.000 0.614 290 P HA -0.029 nan 4.420 nan 0.000 0.249 290 P C 1.027 178.342 177.300 0.025 0.000 1.229 290 P CA 0.557 63.678 63.100 0.036 0.000 0.788 290 P CB 0.704 32.414 31.700 0.016 0.000 1.072 291 E N 0.959 121.172 120.200 0.021 0.000 2.130 291 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 291 E C 1.738 178.293 176.600 -0.074 0.000 0.998 291 E CA 0.825 57.205 56.400 -0.033 0.000 0.806 291 E CB -1.084 28.561 29.700 -0.092 0.000 0.738 291 E HN 0.140 nan 8.360 nan 0.000 0.459 292 I N 0.729 121.256 120.570 -0.071 0.000 2.567 292 I HA -0.254 3.916 4.170 -0.000 0.000 0.257 292 I C 1.357 177.429 176.117 -0.076 0.000 1.184 292 I CA 1.161 62.411 61.300 -0.083 0.000 1.451 292 I CB -0.313 37.650 38.000 -0.063 0.000 1.089 292 I HN 0.123 nan 8.210 nan 0.000 0.441 293 N N 0.122 118.798 118.700 -0.040 0.000 2.062 293 N HA -0.136 4.604 4.740 -0.000 0.000 0.191 293 N C 1.989 177.377 175.510 -0.203 0.000 1.042 293 N CA 1.862 54.882 53.050 -0.050 0.000 0.845 293 N CB -0.612 37.926 38.487 0.086 0.000 1.024 293 N HN 0.304 nan 8.380 nan 0.000 0.424 294 S N 0.325 115.984 115.700 -0.069 0.000 2.383 294 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 294 S C 2.021 176.505 174.600 -0.193 0.000 1.026 294 S CA 1.210 59.330 58.200 -0.133 0.000 0.981 294 S CB -0.339 62.934 63.200 0.121 0.000 0.818 294 S HN 0.429 nan 8.310 nan 0.000 0.472 295 T N 1.727 116.221 114.554 -0.099 0.000 2.746 295 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 295 T C 1.812 176.446 174.700 -0.110 0.000 1.039 295 T CA 1.246 63.312 62.100 -0.058 0.000 1.142 295 T CB -0.164 68.680 68.868 -0.040 0.000 0.866 295 T HN 0.365 nan 8.240 nan 0.000 0.444 296 K N 0.953 121.261 120.400 -0.153 0.000 2.148 296 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 296 K C 2.503 178.977 176.600 -0.210 0.000 1.050 296 K CA 0.905 57.103 56.287 -0.148 0.000 0.942 296 K CB -0.280 32.144 32.500 -0.128 0.000 0.724 296 K HN 0.272 nan 8.250 nan 0.000 0.446 297 A N 0.792 123.380 122.820 -0.387 0.000 1.883 297 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 297 A C 2.401 179.845 177.584 -0.234 0.000 1.186 297 A CA 1.807 53.560 52.037 -0.473 0.000 0.624 297 A CB -1.114 17.213 19.000 -1.121 0.000 0.822 297 A HN 0.542 nan 8.150 nan 0.000 0.444 298 c N -1.107 117.386 118.600 -0.179 0.000 2.436 298 c HA -0.045 4.525 4.570 -0.000 0.000 0.277 298 c C 2.746 176.804 174.090 -0.054 0.000 1.241 298 c CA 1.555 57.838 56.329 -0.076 0.000 1.721 298 c CB -0.769 41.717 42.510 -0.039 0.000 2.043 298 c HN 0.721 nan 8.230 nan 0.000 0.472 299 K N 1.026 121.391 120.400 -0.058 0.000 2.032 299 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 299 K C 1.853 178.431 176.600 -0.037 0.000 1.048 299 K CA 2.317 58.582 56.287 -0.037 0.000 0.927 299 K CB -0.951 31.528 32.500 -0.034 0.000 0.712 299 K HN 0.432 nan 8.250 nan 0.000 0.441 300 T N 0.330 114.852 114.554 -0.054 0.000 2.803 300 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 300 T C 1.690 176.372 174.700 -0.029 0.000 1.052 300 T CA 1.401 63.475 62.100 -0.043 0.000 1.136 300 T CB -0.455 68.379 68.868 -0.057 0.000 0.864 300 T HN 0.405 nan 8.240 nan 0.000 0.467 301 A N 0.289 123.089 122.820 -0.032 0.000 2.168 301 A HA 0.440 4.760 4.320 -0.000 0.000 0.215 301 A C 1.928 179.508 177.584 -0.007 0.000 1.152 301 A CA 1.089 53.117 52.037 -0.014 0.000 0.716 301 A CB -0.687 18.307 19.000 -0.010 0.000 0.794 301 A HN 0.808 nan 8.150 nan 0.000 0.465 302 G N -2.306 106.489 108.800 -0.009 0.000 2.134 302 G HA2 0.171 4.131 3.960 -0.000 0.000 0.209 302 G HA3 0.171 4.131 3.960 -0.000 0.000 0.209 302 G C 0.339 175.239 174.900 0.000 0.000 0.993 302 G CA 0.141 45.239 45.100 -0.003 0.000 0.669 302 G HN 1.531 nan 8.290 nan 0.000 0.519 303 A N -0.173 122.646 122.820 -0.002 0.000 2.498 303 A HA 0.602 4.922 4.320 -0.000 0.000 0.239 303 A C 1.306 178.894 177.584 0.006 0.000 1.068 303 A CA 1.246 53.285 52.037 0.004 0.000 0.766 303 A CB 0.303 19.304 19.000 0.002 0.000 1.003 303 A HN 0.439 nan 8.150 nan 0.000 0.497 304 K N 1.265 121.671 120.400 0.010 0.000 2.262 304 K HA 0.160 4.480 4.320 -0.000 0.000 0.200 304 K C 0.880 177.489 176.600 0.015 0.000 1.049 304 K CA 0.950 57.244 56.287 0.012 0.000 0.979 304 K CB 0.304 32.812 32.500 0.013 0.000 0.773 304 K HN 0.800 nan 8.250 nan 0.000 0.474 305 G N 0.630 109.439 108.800 0.014 0.000 2.660 305 G HA2 0.646 4.606 3.960 -0.000 0.000 0.294 305 G HA3 0.646 4.606 3.960 -0.000 0.000 0.294 305 G C -1.413 173.494 174.900 0.012 0.000 1.369 305 G CA -0.672 44.436 45.100 0.014 0.000 0.912 305 G HN -0.025 nan 8.290 nan 0.000 0.479 306 I N 0.542 121.118 120.570 0.010 0.000 2.582 306 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 306 I C -0.871 175.238 176.117 -0.014 0.000 1.066 306 I CA -0.745 60.562 61.300 0.012 0.000 1.053 306 I CB 2.587 40.608 38.000 0.036 0.000 1.241 306 I HN 0.208 nan 8.210 nan 0.000 0.421 307 I N 6.193 126.761 120.570 -0.005 0.000 2.439 307 I HA 0.355 4.525 4.170 -0.000 0.000 0.283 307 I C -0.701 175.439 176.117 0.039 0.000 1.023 307 I CA -0.784 60.499 61.300 -0.028 0.000 1.100 307 I CB 1.932 39.907 38.000 -0.042 0.000 1.238 307 I HN 0.157 nan 8.210 nan 0.000 0.445 308 V N 6.985 126.906 119.914 0.012 0.000 2.394 308 V HA 0.340 4.460 4.120 -0.000 0.000 0.282 308 V C -0.602 175.541 176.094 0.082 0.000 1.031 308 V CA -0.569 61.767 62.300 0.059 0.000 0.881 308 V CB 1.060 32.938 31.823 0.092 0.000 0.982 308 V HN 0.564 nan 8.190 nan 0.000 0.451 309 Y N 1.844 122.123 120.300 -0.036 0.000 2.487 309 Y HA 0.764 5.314 4.550 -0.000 0.000 0.337 309 Y C 0.352 176.231 175.900 -0.035 0.000 1.076 309 Y CA -1.356 56.711 58.100 -0.056 0.000 1.115 309 Y CB 0.876 39.295 38.460 -0.068 0.000 1.235 309 Y HN 0.466 nan 8.280 nan 0.000 0.468 310 S N 2.746 118.478 115.700 0.054 0.000 2.563 310 S HA 0.053 4.523 4.470 -0.000 0.000 0.284 310 S C -0.072 174.492 174.600 -0.060 0.000 1.331 310 S CA -0.384 57.799 58.200 -0.028 0.000 1.047 310 S CB -0.351 62.841 63.200 -0.013 0.000 0.859 310 S HN 0.833 nan 8.310 nan 0.000 0.514 311 N N 0.449 119.093 118.700 -0.093 0.000 2.448 311 N HA 0.262 5.002 4.740 -0.000 0.000 0.274 311 N C 1.012 176.499 175.510 -0.038 0.000 1.239 311 N CA -0.321 52.675 53.050 -0.089 0.000 0.982 311 N CB 0.085 38.510 38.487 -0.103 0.000 1.199 311 N HN 0.428 nan 8.380 nan 0.000 0.576 312 S N -1.978 113.703 115.700 -0.031 0.000 2.447 312 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 312 S C 1.747 176.329 174.600 -0.029 0.000 1.006 312 S CA 0.463 58.651 58.200 -0.020 0.000 0.957 312 S CB -0.946 62.243 63.200 -0.017 0.000 0.773 312 S HN 0.717 nan 8.310 nan 0.000 0.507 313 A N 1.489 124.286 122.820 -0.038 0.000 1.873 313 A HA 0.331 4.651 4.320 -0.000 0.000 0.215 313 A C 1.331 178.891 177.584 -0.039 0.000 1.186 313 A CA 0.842 52.856 52.037 -0.039 0.000 0.616 313 A CB -0.352 18.622 19.000 -0.043 0.000 0.823 313 A HN 0.568 nan 8.150 nan 0.000 0.442 314 L N 0.123 121.320 121.223 -0.043 0.000 2.480 314 L HA 0.247 4.587 4.340 -0.000 0.000 0.253 314 L C -1.950 174.890 176.870 -0.051 0.000 1.324 314 L CA -1.290 53.521 54.840 -0.048 0.000 0.916 314 L CB 2.154 44.183 42.059 -0.050 0.000 1.160 314 L HN 0.171 nan 8.230 nan 0.000 0.503 315 P HA -0.076 nan 4.420 nan 0.000 0.226 315 P C 0.896 178.154 177.300 -0.070 0.000 1.153 315 P CA 0.463 63.540 63.100 -0.038 0.000 0.777 315 P CB 0.379 32.064 31.700 -0.025 0.000 0.794 316 G N 0.825 109.559 108.800 -0.110 0.000 2.684 316 G HA2 0.233 4.193 3.960 -0.000 0.000 0.255 316 G HA3 0.233 4.193 3.960 -0.000 0.000 0.255 316 G C -0.619 174.164 174.900 -0.194 0.000 1.219 316 G CA -0.494 44.488 45.100 -0.198 0.000 0.901 316 G HN 0.193 nan 8.290 nan 0.000 0.548 317 L N 0.421 121.469 121.223 -0.291 0.000 2.418 317 L HA 0.253 4.593 4.340 -0.000 0.000 0.274 317 L C -0.041 176.751 176.870 -0.130 0.000 1.135 317 L CA 0.027 54.740 54.840 -0.212 0.000 0.870 317 L CB 0.670 42.577 42.059 -0.253 0.000 1.154 317 L HN 0.344 nan 8.230 nan 0.000 0.462 318 Q N 4.672 124.420 119.800 -0.087 0.000 2.309 318 Q HA 0.297 4.637 4.340 -0.000 0.000 0.264 318 Q C -0.649 175.327 176.000 -0.040 0.000 1.008 318 Q CA -0.199 55.582 55.803 -0.037 0.000 0.853 318 Q CB 1.612 30.338 28.738 -0.019 0.000 1.314 318 Q HN 0.721 nan 8.270 nan 0.000 0.448 319 N N 2.286 120.978 118.700 -0.013 0.000 2.813 319 N HA 0.227 4.967 4.740 -0.000 0.000 0.282 319 N C -2.435 173.020 175.510 -0.092 0.000 1.748 319 N CA -1.341 51.681 53.050 -0.047 0.000 0.860 319 N CB 1.080 39.558 38.487 -0.016 0.000 1.204 319 N HN 0.277 nan 8.380 nan 0.000 0.490 320 P HA 0.219 nan 4.420 nan 0.000 0.278 320 P C -0.742 176.478 177.300 -0.132 0.000 1.266 320 P CA -0.304 62.770 63.100 -0.043 0.000 0.807 320 P CB 0.996 32.733 31.700 0.062 0.000 1.094 321 F N 0.456 120.421 119.950 0.026 0.000 2.438 321 F HA 0.167 4.694 4.527 -0.000 0.000 0.356 321 F C 1.083 176.793 175.800 -0.150 0.000 1.099 321 F CA -0.390 57.547 58.000 -0.105 0.000 1.185 321 F CB 0.528 39.366 39.000 -0.271 0.000 1.115 321 F HN 0.071 nan 8.300 nan 0.000 0.526 322 L N 6.349 127.546 121.223 -0.043 0.000 2.352 322 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 322 L C -0.669 176.104 176.870 -0.161 0.000 1.109 322 L CA -0.272 54.459 54.840 -0.181 0.000 0.952 322 L CB -0.025 41.835 42.059 -0.331 0.000 1.314 322 L HN 0.303 nan 8.230 nan 0.000 0.427 323 V N 3.829 123.623 119.914 -0.199 0.000 2.397 323 V HA 0.127 4.247 4.120 -0.000 0.000 0.262 323 V C 0.197 176.156 176.094 -0.225 0.000 1.047 323 V CA -0.158 61.914 62.300 -0.380 0.000 1.003 323 V CB 0.586 32.117 31.823 -0.488 0.000 1.037 323 V HN 0.584 nan 8.190 nan 0.000 0.480 324 D N 4.397 124.705 120.400 -0.153 0.000 2.485 324 D HA 0.490 5.130 4.640 -0.000 0.000 0.256 324 D C 1.017 177.378 176.300 0.101 0.000 1.141 324 D CA 0.060 54.046 54.000 -0.023 0.000 0.942 324 D CB 1.383 42.176 40.800 -0.012 0.000 1.003 324 D HN 0.512 nan 8.370 nan 0.000 0.507 325 A N 3.378 126.281 122.820 0.137 0.000 1.917 325 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 325 A C 1.674 179.327 177.584 0.114 0.000 1.182 325 A CA 1.245 53.417 52.037 0.224 0.000 0.633 325 A CB -0.082 19.022 19.000 0.174 0.000 0.819 325 A HN 0.496 nan 8.150 nan 0.000 0.448 326 N N -0.414 118.325 118.700 0.065 0.000 2.270 326 N HA 0.091 4.831 4.740 -0.000 0.000 0.198 326 N C -0.204 175.324 175.510 0.030 0.000 1.117 326 N CA 0.750 53.822 53.050 0.036 0.000 0.845 326 N CB 0.372 38.871 38.487 0.021 0.000 0.980 326 N HN 0.283 nan 8.380 nan 0.000 0.486 327 S N 0.939 116.664 115.700 0.041 0.000 3.614 327 S HA -0.122 4.348 4.470 -0.000 0.000 0.360 327 S C 0.521 175.130 174.600 0.016 0.000 1.023 327 S CA 0.506 58.725 58.200 0.031 0.000 1.114 327 S CB -0.892 62.326 63.200 0.030 0.000 0.907 327 S HN 0.412 nan 8.310 nan 0.000 0.470 328 D N 0.593 120.998 120.400 0.008 0.000 2.194 328 D HA 0.028 4.668 4.640 -0.000 0.000 0.204 328 D C 0.932 177.231 176.300 -0.002 0.000 0.964 328 D CA 0.548 54.547 54.000 -0.001 0.000 0.846 328 D CB 0.048 40.841 40.800 -0.011 0.000 0.962 328 D HN 0.456 nan 8.370 nan 0.000 0.490 329 I N 2.639 123.208 120.570 -0.002 0.000 2.278 329 I HA 0.008 4.178 4.170 -0.000 0.000 0.300 329 I C 1.259 177.386 176.117 0.017 0.000 1.174 329 I CA 0.419 61.722 61.300 0.005 0.000 1.347 329 I CB -0.672 37.329 38.000 0.001 0.000 1.473 329 I HN -0.134 nan 8.210 nan 0.000 0.595 330 T N 1.143 115.707 114.554 0.016 0.000 3.105 330 T HA 0.268 4.618 4.350 -0.000 0.000 0.253 330 T C 0.459 175.172 174.700 0.023 0.000 1.047 330 T CA -0.296 61.816 62.100 0.020 0.000 0.944 330 T CB -0.268 68.609 68.868 0.015 0.000 1.016 330 T HN 0.293 nan 8.240 nan 0.000 0.544 331 V N -1.880 118.049 119.914 0.025 0.000 2.994 331 V HA 0.777 4.897 4.120 -0.000 0.000 0.318 331 V C -2.968 173.148 176.094 0.038 0.000 1.085 331 V CA -3.181 59.136 62.300 0.027 0.000 0.998 331 V CB 1.711 33.547 31.823 0.021 0.000 1.063 331 V HN -0.070 nan 8.190 nan 0.000 0.447 332 P HA 0.255 nan 4.420 nan 0.000 0.271 332 P C -0.462 176.858 177.300 0.032 0.000 1.226 332 P CA 0.389 63.511 63.100 0.037 0.000 0.765 332 P CB 0.970 32.689 31.700 0.031 0.000 0.835 333 S N 2.366 118.093 115.700 0.045 0.000 2.548 333 S HA 0.766 5.236 4.470 -0.000 0.000 0.286 333 S C -0.158 174.323 174.600 -0.198 0.000 1.098 333 S CA -0.743 57.468 58.200 0.019 0.000 0.930 333 S CB 1.670 65.016 63.200 0.243 0.000 1.070 333 S HN 0.448 nan 8.310 nan 0.000 0.480 334 V N -1.254 118.433 119.914 -0.379 0.000 3.160 334 V HA 0.963 5.083 4.120 -0.000 0.000 0.310 334 V C -0.431 175.307 176.094 -0.595 0.000 1.181 334 V CA -0.716 61.285 62.300 -0.498 0.000 1.047 334 V CB 1.425 33.109 31.823 -0.232 0.000 1.068 334 V HN 1.081 nan 8.190 nan 0.000 0.441 335 S N 0.703 116.132 115.700 -0.452 0.000 2.500 335 S HA 0.880 5.350 4.470 -0.000 0.000 0.301 335 S C -0.732 173.750 174.600 -0.198 0.000 1.092 335 S CA 0.045 58.086 58.200 -0.265 0.000 1.030 335 S CB 1.216 64.312 63.200 -0.173 0.000 1.031 335 S HN 2.225 nan 8.310 nan 0.000 0.483 336 V N 1.636 121.480 119.914 -0.118 0.000 3.102 336 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 336 V C -0.607 175.453 176.094 -0.056 0.000 1.135 336 V CA -1.184 61.050 62.300 -0.111 0.000 1.022 336 V CB 1.652 33.404 31.823 -0.118 0.000 1.056 336 V HN 0.891 nan 8.190 nan 0.000 0.436 337 D N 1.224 121.579 120.400 -0.075 0.000 2.371 337 D HA 0.185 4.825 4.640 -0.000 0.000 0.242 337 D C 1.080 177.387 176.300 0.012 0.000 1.218 337 D CA -0.212 53.755 54.000 -0.055 0.000 0.945 337 D CB 0.799 41.535 40.800 -0.106 0.000 1.137 337 D HN 0.713 nan 8.370 nan 0.000 0.464 338 R N 0.136 120.658 120.500 0.037 0.000 2.091 338 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 338 R C 2.063 178.375 176.300 0.021 0.000 1.136 338 R CA 1.664 57.830 56.100 0.110 0.000 0.959 338 R CB -0.631 29.720 30.300 0.086 0.000 0.856 338 R HN 0.596 nan 8.270 nan 0.000 0.437 339 A N -0.210 122.603 122.820 -0.012 0.000 1.908 339 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 339 A C 2.159 179.706 177.584 -0.061 0.000 1.181 339 A CA 2.132 54.153 52.037 -0.027 0.000 0.627 339 A CB -0.885 18.110 19.000 -0.008 0.000 0.818 339 A HN 0.466 nan 8.150 nan 0.000 0.445 340 T N -0.444 114.067 114.554 -0.071 0.000 2.821 340 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 340 T C 1.953 176.508 174.700 -0.242 0.000 1.046 340 T CA 1.272 63.301 62.100 -0.118 0.000 1.139 340 T CB -0.534 68.267 68.868 -0.112 0.000 0.871 340 T HN 0.586 nan 8.240 nan 0.000 0.454 341 G N 1.419 110.053 108.800 -0.277 0.000 2.422 341 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 341 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 341 G C 1.450 175.899 174.900 -0.752 0.000 1.146 341 G CA 0.386 45.091 45.100 -0.658 0.000 0.769 341 G HN 0.442 nan 8.290 nan 0.000 0.547 342 L N 0.463 121.416 121.223 -0.450 0.000 2.156 342 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 342 L C 3.333 180.088 176.870 -0.191 0.000 1.095 342 L CA 0.773 55.441 54.840 -0.288 0.000 0.770 342 L CB -0.371 41.608 42.059 -0.133 0.000 0.914 342 L HN 0.301 nan 8.230 nan 0.000 0.439 343 A N 0.398 123.125 122.820 -0.154 0.000 1.898 343 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 343 A C 2.223 179.754 177.584 -0.087 0.000 1.181 343 A CA 1.148 53.143 52.037 -0.071 0.000 0.620 343 A CB -0.609 18.392 19.000 0.002 0.000 0.819 343 A HN 0.350 nan 8.150 nan 0.000 0.442 344 L N -0.718 120.387 121.223 -0.197 0.000 2.265 344 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 344 L C 2.410 179.196 176.870 -0.140 0.000 1.117 344 L CA 1.245 55.964 54.840 -0.200 0.000 0.782 344 L CB -0.377 41.491 42.059 -0.319 0.000 0.914 344 L HN 0.377 nan 8.230 nan 0.000 0.441 345 K N 0.195 120.496 120.400 -0.164 0.000 2.152 345 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 345 K C 2.088 178.656 176.600 -0.054 0.000 1.048 345 K CA 1.348 57.569 56.287 -0.110 0.000 0.933 345 K CB -0.187 32.243 32.500 -0.116 0.000 0.721 345 K HN 0.301 nan 8.250 nan 0.000 0.447 346 A N 0.934 123.729 122.820 -0.041 0.000 2.168 346 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 346 A C 1.264 178.849 177.584 0.002 0.000 1.152 346 A CA 1.057 53.086 52.037 -0.013 0.000 0.716 346 A CB 0.098 19.096 19.000 -0.003 0.000 0.794 346 A HN 0.033 nan 8.150 nan 0.000 0.465 347 K N -0.065 120.337 120.400 0.003 0.000 2.397 347 K HA 0.314 4.634 4.320 -0.000 0.000 0.202 347 K C -0.084 176.522 176.600 0.010 0.000 1.022 347 K CA -0.185 56.115 56.287 0.022 0.000 1.141 347 K CB -0.118 32.416 32.500 0.058 0.000 0.857 347 K HN 0.434 nan 8.250 nan 0.000 0.514 348 L N 0.706 121.927 121.223 -0.003 0.000 2.525 348 L HA -0.044 4.296 4.340 -0.000 0.000 0.278 348 L C 1.436 178.311 176.870 0.008 0.000 1.218 348 L CA 1.091 55.931 54.840 -0.001 0.000 0.878 348 L CB -0.023 42.035 42.059 -0.003 0.000 1.127 348 L HN 0.582 nan 8.230 nan 0.000 0.492 349 G N 1.888 110.694 108.800 0.010 0.000 2.234 349 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.235 349 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.235 349 G C 0.276 175.185 174.900 0.015 0.000 0.997 349 G CA -0.323 44.784 45.100 0.012 0.000 0.623 349 G HN 0.585 nan 8.290 nan 0.000 0.514 350 Q N 0.788 120.599 119.800 0.019 0.000 2.299 350 Q HA 0.542 4.882 4.340 -0.000 0.000 0.246 350 Q C 0.459 176.475 176.000 0.027 0.000 0.935 350 Q CA 0.160 55.977 55.803 0.024 0.000 0.887 350 Q CB 1.417 30.174 28.738 0.031 0.000 1.223 350 Q HN 0.245 nan 8.270 nan 0.000 0.439 351 S N 1.291 117.006 115.700 0.026 0.000 2.546 351 S HA 0.077 4.547 4.470 -0.000 0.000 0.290 351 S C -0.690 173.932 174.600 0.037 0.000 1.262 351 S CA 0.022 58.238 58.200 0.027 0.000 1.083 351 S CB 0.004 63.218 63.200 0.023 0.000 0.859 351 S HN 0.494 nan 8.310 nan 0.000 0.495 352 T N 4.608 119.184 114.554 0.037 0.000 2.886 352 T HA 0.462 4.812 4.350 -0.000 0.000 0.292 352 T C -0.767 173.959 174.700 0.043 0.000 1.012 352 T CA -0.607 61.523 62.100 0.049 0.000 0.982 352 T CB 1.796 70.689 68.868 0.042 0.000 1.018 352 T HN 0.518 nan 8.240 nan 0.000 0.451 353 T N 2.534 117.121 114.554 0.054 0.000 2.786 353 T HA 0.555 4.905 4.350 -0.000 0.000 0.283 353 T C -0.305 174.427 174.700 0.054 0.000 0.992 353 T CA -0.477 61.651 62.100 0.048 0.000 0.954 353 T CB 0.918 69.814 68.868 0.047 0.000 0.934 353 T HN 0.348 nan 8.240 nan 0.000 0.440 354 V N 3.856 123.794 119.914 0.039 0.000 2.483 354 V HA 0.818 4.938 4.120 -0.000 0.000 0.295 354 V C -0.037 176.080 176.094 0.038 0.000 1.035 354 V CA -0.690 61.630 62.300 0.034 0.000 0.896 354 V CB 1.691 33.521 31.823 0.012 0.000 0.986 354 V HN 1.056 nan 8.190 nan 0.000 0.447 355 S N 3.356 119.085 115.700 0.048 0.000 2.533 355 S HA 0.622 5.092 4.470 -0.000 0.000 0.271 355 S C -1.314 173.325 174.600 0.064 0.000 1.143 355 S CA -0.991 57.241 58.200 0.054 0.000 0.891 355 S CB 1.951 65.187 63.200 0.061 0.000 1.105 355 S HN 0.539 nan 8.310 nan 0.000 0.468 356 N N 1.838 120.574 118.700 0.060 0.000 2.342 356 N HA 0.466 5.206 4.740 -0.000 0.000 0.293 356 N C -1.241 174.316 175.510 0.078 0.000 1.026 356 N CA -0.427 52.666 53.050 0.071 0.000 0.857 356 N CB 1.886 40.409 38.487 0.060 0.000 1.256 356 N HN 0.725 nan 8.380 nan 0.000 0.484 357 Q N 0.307 120.165 119.800 0.097 0.000 2.337 357 Q HA 0.646 4.986 4.340 -0.000 0.000 0.270 357 Q C 0.160 176.217 176.000 0.095 0.000 1.043 357 Q CA -1.056 54.800 55.803 0.088 0.000 0.794 357 Q CB 2.423 31.215 28.738 0.091 0.000 1.281 357 Q HN 0.616 nan 8.270 nan 0.000 0.446 358 G N 0.707 109.552 108.800 0.076 0.000 2.568 358 G HA2 0.267 4.227 3.960 -0.000 0.000 0.293 358 G HA3 0.267 4.227 3.960 -0.000 0.000 0.293 358 G C 0.136 175.075 174.900 0.064 0.000 1.347 358 G CA -0.556 44.588 45.100 0.074 0.000 1.039 358 G HN 0.831 nan 8.290 nan 0.000 0.523 359 N N -1.602 117.131 118.700 0.055 0.000 2.725 359 N HA -0.147 4.593 4.740 -0.000 0.000 0.249 359 N C 0.350 175.881 175.510 0.036 0.000 1.103 359 N CA 0.793 53.865 53.050 0.036 0.000 0.707 359 N CB -0.550 37.953 38.487 0.026 0.000 1.043 359 N HN 0.464 nan 8.380 nan 0.000 0.553 360 Q N -0.357 119.479 119.800 0.060 0.000 2.185 360 Q HA 0.277 4.617 4.340 -0.000 0.000 0.225 360 Q C 0.237 176.244 176.000 0.012 0.000 0.983 360 Q CA -0.154 55.694 55.803 0.074 0.000 0.950 360 Q CB 0.461 29.291 28.738 0.154 0.000 1.176 360 Q HN 0.242 nan 8.270 nan 0.000 0.510 361 D N -0.264 120.110 120.400 -0.042 0.000 2.402 361 D HA 0.174 4.814 4.640 -0.000 0.000 0.216 361 D C -0.502 175.446 176.300 -0.587 0.000 1.128 361 D CA 0.400 54.214 54.000 -0.310 0.000 0.833 361 D CB 0.402 40.869 40.800 -0.555 0.000 0.971 361 D HN 0.278 nan 8.370 nan 0.000 0.503 362 Y N 0.115 120.465 120.300 0.084 0.000 2.615 362 Y HA 0.503 5.053 4.550 -0.000 0.000 0.341 362 Y C -0.065 175.855 175.900 0.033 0.000 1.089 362 Y CA -1.087 57.023 58.100 0.018 0.000 1.049 362 Y CB 2.276 40.746 38.460 0.016 0.000 1.296 362 Y HN -0.328 nan 8.280 nan 0.000 0.470 363 E N 0.018 120.289 120.200 0.118 0.000 2.401 363 E HA 0.361 4.711 4.350 -0.000 0.000 0.280 363 E C -2.204 174.463 176.600 0.112 0.000 1.039 363 E CA -0.761 55.737 56.400 0.163 0.000 0.814 363 E CB 1.574 31.409 29.700 0.224 0.000 1.275 363 E HN 0.583 nan 8.360 nan 0.000 0.448 364 Y N 1.546 121.976 120.300 0.217 0.000 2.327 364 Y HA 0.362 4.912 4.550 -0.000 0.000 0.336 364 Y C -0.521 175.578 175.900 0.332 0.000 1.035 364 Y CA 0.256 58.489 58.100 0.223 0.000 1.165 364 Y CB 0.822 39.361 38.460 0.132 0.000 1.181 364 Y HN 0.308 nan 8.280 nan 0.000 0.494 365 Y N 1.784 122.133 120.300 0.081 0.000 2.570 365 Y HA 0.409 4.959 4.550 -0.000 0.000 0.345 365 Y C -0.405 175.472 175.900 -0.038 0.000 1.014 365 Y CA -1.391 56.618 58.100 -0.152 0.000 1.063 365 Y CB 2.197 40.272 38.460 -0.641 0.000 1.272 365 Y HN 0.538 nan 8.280 nan 0.000 0.477 366 N N 0.099 118.817 118.700 0.031 0.000 2.272 366 N HA 0.753 5.493 4.740 -0.000 0.000 0.305 366 N C -0.982 174.440 175.510 -0.147 0.000 1.103 366 N CA -0.795 52.262 53.050 0.012 0.000 0.791 366 N CB 2.389 40.818 38.487 -0.098 0.000 1.356 366 N HN 0.817 nan 8.380 nan 0.000 0.486 367 G N -0.866 107.920 108.800 -0.024 0.000 2.329 367 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.308 367 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.308 367 G C 0.329 175.388 174.900 0.266 0.000 1.587 367 G CA -0.438 44.617 45.100 -0.075 0.000 0.978 367 G HN 0.497 nan 8.290 nan 0.000 0.685 368 T N -1.594 113.149 114.554 0.314 0.000 3.007 368 T HA 0.014 4.364 4.350 -0.000 0.000 0.270 368 T C 2.237 177.054 174.700 0.194 0.000 1.107 368 T CA 2.052 64.315 62.100 0.271 0.000 1.118 368 T CB -0.019 68.989 68.868 0.233 0.000 0.889 368 T HN 0.503 nan 8.240 nan 0.000 0.506 369 S N 1.065 116.873 115.700 0.180 0.000 2.453 369 S HA 0.120 4.590 4.470 -0.000 0.000 0.231 369 S C 1.680 176.362 174.600 0.138 0.000 1.005 369 S CA 0.776 59.087 58.200 0.186 0.000 0.949 369 S CB -0.321 63.084 63.200 0.340 0.000 0.774 369 S HN 0.341 nan 8.310 nan 0.000 0.510 370 M N 0.966 120.661 119.600 0.158 0.000 2.394 370 M HA 0.296 4.776 4.480 -0.000 0.000 0.266 370 M C 2.190 178.649 176.300 0.265 0.000 1.098 370 M CA 0.678 56.088 55.300 0.184 0.000 1.149 370 M CB -0.779 31.948 32.600 0.211 0.000 1.369 370 M HN 0.282 nan 8.290 nan 0.000 0.450 371 A N -0.645 122.314 122.820 0.232 0.000 1.898 371 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 371 A C 2.246 179.957 177.584 0.212 0.000 1.181 371 A CA 2.079 54.245 52.037 0.215 0.000 0.620 371 A CB -1.225 17.867 19.000 0.154 0.000 0.819 371 A HN 0.435 nan 8.150 nan 0.000 0.442 372 T N 0.991 115.645 114.554 0.166 0.000 2.635 372 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 372 T C -0.240 174.527 174.700 0.111 0.000 1.040 372 T CA 1.902 64.081 62.100 0.132 0.000 1.156 372 T CB -1.172 67.769 68.868 0.123 0.000 0.863 372 T HN 0.517 nan 8.240 nan 0.000 0.430 373 P HA -0.070 nan 4.420 nan 0.000 0.223 373 P C 0.758 178.036 177.300 -0.036 0.000 1.151 373 P CA 1.318 64.419 63.100 0.001 0.000 0.787 373 P CB -0.130 31.530 31.700 -0.066 0.000 0.788 374 H N -0.543 118.530 119.070 0.005 0.000 2.357 374 H HA -0.055 4.501 4.556 -0.000 0.000 0.301 374 H C 2.056 177.401 175.328 0.029 0.000 1.082 374 H CA 1.312 57.356 56.048 -0.007 0.000 1.342 374 H CB -0.703 29.038 29.762 -0.035 0.000 1.389 374 H HN -0.127 nan 8.280 nan 0.000 0.511 375 V N 0.278 120.295 119.914 0.171 0.000 2.307 375 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 375 V C 2.425 178.583 176.094 0.106 0.000 1.045 375 V CA 1.914 64.289 62.300 0.125 0.000 1.024 375 V CB -0.537 31.354 31.823 0.113 0.000 0.651 375 V HN 0.598 nan 8.190 nan 0.000 0.449 376 S N 0.707 116.466 115.700 0.099 0.000 2.406 376 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 376 S C 2.068 176.728 174.600 0.100 0.000 1.020 376 S CA 1.194 59.456 58.200 0.102 0.000 0.965 376 S CB -0.699 62.558 63.200 0.095 0.000 0.798 376 S HN 0.524 nan 8.310 nan 0.000 0.488 377 G N 1.581 110.423 108.800 0.069 0.000 2.404 377 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 377 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 377 G C 1.433 176.386 174.900 0.089 0.000 1.174 377 G CA 0.936 46.069 45.100 0.055 0.000 0.780 377 G HN 0.455 nan 8.290 nan 0.000 0.537 378 V N 1.593 121.566 119.914 0.098 0.000 2.343 378 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 378 V C 3.331 179.506 176.094 0.136 0.000 1.051 378 V CA 1.918 64.286 62.300 0.114 0.000 1.036 378 V CB -0.769 31.118 31.823 0.107 0.000 0.654 378 V HN 0.476 nan 8.190 nan 0.000 0.451 379 A N -0.104 122.796 122.820 0.133 0.000 1.883 379 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 379 A C 2.407 180.147 177.584 0.261 0.000 1.186 379 A CA 2.705 54.833 52.037 0.152 0.000 0.624 379 A CB -1.024 18.055 19.000 0.131 0.000 0.822 379 A HN 0.512 nan 8.150 nan 0.000 0.444 380 T N -0.032 114.672 114.554 0.251 0.000 2.777 380 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 380 T C 1.851 176.697 174.700 0.243 0.000 1.040 380 T CA 1.438 63.700 62.100 0.272 0.000 1.141 380 T CB -0.390 68.575 68.868 0.160 0.000 0.868 380 T HN 0.341 nan 8.240 nan 0.000 0.444 381 L N 1.473 122.815 121.223 0.198 0.000 1.994 381 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 381 L C 2.436 179.502 176.870 0.327 0.000 1.071 381 L CA 1.612 56.577 54.840 0.208 0.000 0.745 381 L CB -0.861 41.306 42.059 0.179 0.000 0.892 381 L HN 0.068 nan 8.230 nan 0.000 0.431 382 V N -1.272 118.823 119.914 0.302 0.000 2.343 382 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 382 V C 2.206 178.561 176.094 0.436 0.000 1.051 382 V CA 1.860 64.351 62.300 0.319 0.000 1.036 382 V CB -0.973 30.961 31.823 0.185 0.000 0.654 382 V HN 0.718 nan 8.190 nan 0.000 0.451 383 W N 1.544 122.954 121.300 0.183 0.000 2.374 383 W HA -0.179 4.481 4.660 -0.000 0.000 0.288 383 W C 2.871 179.470 176.519 0.133 0.000 1.218 383 W CA 1.726 59.167 57.345 0.161 0.000 1.245 383 W CB -0.740 28.788 29.460 0.113 0.000 1.126 383 W HN 0.492 nan 8.180 nan 0.000 0.545 384 S N -1.343 114.530 115.700 0.288 0.000 2.442 384 S HA -0.248 4.222 4.470 -0.000 0.000 0.236 384 S C 1.668 176.255 174.600 -0.022 0.000 1.007 384 S CA 1.168 59.396 58.200 0.046 0.000 0.965 384 S CB -1.138 62.035 63.200 -0.045 0.000 0.773 384 S HN 0.284 nan 8.310 nan 0.000 0.504 385 Y N 1.218 121.504 120.300 -0.024 0.000 2.457 385 Y HA 0.169 4.719 4.550 -0.000 0.000 0.292 385 Y C 1.107 176.672 175.900 -0.558 0.000 1.125 385 Y CA 0.687 58.623 58.100 -0.273 0.000 1.254 385 Y CB 0.149 38.424 38.460 -0.309 0.000 1.012 385 Y HN 0.448 nan 8.280 nan 0.000 0.555 386 H N -0.616 118.644 119.070 0.317 0.000 2.514 386 H HA 0.183 4.739 4.556 -0.000 0.000 0.226 386 H C -2.082 173.454 175.328 0.346 0.000 1.421 386 H CA -1.574 54.634 56.048 0.265 0.000 1.394 386 H CB 0.636 30.539 29.762 0.235 0.000 1.701 386 H HN 0.133 nan 8.280 nan 0.000 0.515 387 P HA -0.163 nan 4.420 nan 0.000 0.225 387 P C 1.319 178.734 177.300 0.191 0.000 1.148 387 P CA 1.027 64.176 63.100 0.081 0.000 0.779 387 P CB 0.467 32.116 31.700 -0.085 0.000 0.780 388 E N -0.200 120.134 120.200 0.223 0.000 2.274 388 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 388 E C 0.475 177.219 176.600 0.240 0.000 0.996 388 E CA 0.243 56.754 56.400 0.184 0.000 0.840 388 E CB -1.303 28.478 29.700 0.135 0.000 0.772 388 E HN 0.170 nan 8.360 nan 0.000 0.491 389 c N 2.841 121.641 118.600 0.333 0.000 2.657 389 c HA 0.318 4.888 4.570 -0.000 0.000 0.404 389 c C 1.246 175.529 174.090 0.321 0.000 1.291 389 c CA -0.230 56.245 56.329 0.243 0.000 2.218 389 c CB 0.313 42.912 42.510 0.149 0.000 2.687 389 c HN 0.489 nan 8.230 nan 0.000 0.634 390 S N 1.902 117.679 115.700 0.129 0.000 2.645 390 S HA 0.482 4.952 4.470 -0.000 0.000 0.266 390 S C 0.923 175.453 174.600 -0.118 0.000 1.258 390 S CA -0.044 58.224 58.200 0.113 0.000 0.990 390 S CB 0.966 64.176 63.200 0.017 0.000 0.967 390 S HN 0.968 nan 8.310 nan 0.000 0.556 391 A N 1.691 124.456 122.820 -0.091 0.000 1.908 391 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 391 A C 2.462 179.926 177.584 -0.199 0.000 1.181 391 A CA 2.137 53.985 52.037 -0.315 0.000 0.627 391 A CB -1.757 17.265 19.000 0.036 0.000 0.818 391 A HN 1.346 nan 8.150 nan 0.000 0.445 392 S N -0.513 115.082 115.700 -0.176 0.000 2.382 392 S HA -0.250 4.220 4.470 -0.000 0.000 0.228 392 S C 1.941 176.515 174.600 -0.044 0.000 1.027 392 S CA 1.458 59.623 58.200 -0.059 0.000 0.991 392 S CB -0.521 62.579 63.200 -0.166 0.000 0.823 392 S HN 0.689 nan 8.310 nan 0.000 0.469 393 Q N 0.495 120.237 119.800 -0.098 0.000 2.123 393 Q HA 0.030 4.370 4.340 -0.000 0.000 0.199 393 Q C 2.374 178.307 176.000 -0.111 0.000 0.966 393 Q CA 1.413 57.175 55.803 -0.069 0.000 0.845 393 Q CB -0.350 28.357 28.738 -0.052 0.000 0.907 393 Q HN 0.499 nan 8.270 nan 0.000 0.439 394 V N 0.839 120.588 119.914 -0.275 0.000 2.358 394 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 394 V C 2.309 178.287 176.094 -0.193 0.000 1.047 394 V CA 1.901 63.999 62.300 -0.337 0.000 1.035 394 V CB -0.565 30.786 31.823 -0.787 0.000 0.658 394 V HN 0.318 nan 8.190 nan 0.000 0.452 395 R N 0.405 120.819 120.500 -0.144 0.000 2.083 395 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 395 R C 2.284 178.547 176.300 -0.062 0.000 1.137 395 R CA 1.844 57.914 56.100 -0.050 0.000 0.951 395 R CB -0.472 29.861 30.300 0.056 0.000 0.851 395 R HN 0.479 nan 8.270 nan 0.000 0.434 396 A N 0.636 123.422 122.820 -0.057 0.000 1.902 396 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 396 A C 2.361 179.817 177.584 -0.214 0.000 1.181 396 A CA 1.658 53.639 52.037 -0.094 0.000 0.623 396 A CB -0.753 18.232 19.000 -0.025 0.000 0.818 396 A HN 0.562 nan 8.150 nan 0.000 0.443 397 A N -0.107 122.605 122.820 -0.180 0.000 1.902 397 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 397 A C 2.164 179.527 177.584 -0.368 0.000 1.181 397 A CA 1.517 53.335 52.037 -0.365 0.000 0.623 397 A CB -0.623 18.369 19.000 -0.013 0.000 0.818 397 A HN 0.485 nan 8.150 nan 0.000 0.443 398 L N -0.610 120.497 121.223 -0.194 0.000 2.046 398 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 398 L C 2.359 179.135 176.870 -0.156 0.000 1.077 398 L CA 1.826 56.589 54.840 -0.129 0.000 0.747 398 L CB -0.781 41.247 42.059 -0.052 0.000 0.896 398 L HN 0.505 nan 8.230 nan 0.000 0.432 399 N N -0.028 118.551 118.700 -0.201 0.000 2.142 399 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 399 N C 1.911 177.139 175.510 -0.470 0.000 1.023 399 N CA 0.980 53.848 53.050 -0.303 0.000 0.852 399 N CB -0.159 38.073 38.487 -0.424 0.000 0.998 399 N HN 0.293 nan 8.380 nan 0.000 0.424 400 A N 0.529 123.050 122.820 -0.497 0.000 2.067 400 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 400 A C 2.086 179.440 177.584 -0.384 0.000 1.158 400 A CA 1.717 53.457 52.037 -0.496 0.000 0.661 400 A CB -0.562 18.037 19.000 -0.669 0.000 0.801 400 A HN 0.460 nan 8.150 nan 0.000 0.452 401 T N -3.514 110.831 114.554 -0.350 0.000 3.054 401 T HA 0.597 4.947 4.350 -0.000 0.000 0.255 401 T C 0.691 175.332 174.700 -0.098 0.000 1.035 401 T CA 0.384 62.364 62.100 -0.201 0.000 0.941 401 T CB -0.244 68.513 68.868 -0.185 0.000 1.026 401 T HN 0.560 nan 8.240 nan 0.000 0.533 402 A N 1.818 124.589 122.820 -0.081 0.000 2.483 402 A HA 0.361 4.681 4.320 -0.000 0.000 0.238 402 A C -0.026 177.566 177.584 0.014 0.000 1.070 402 A CA -0.331 51.703 52.037 -0.003 0.000 0.770 402 A CB 0.013 19.044 19.000 0.052 0.000 1.008 402 A HN 0.439 nan 8.150 nan 0.000 0.497 403 D N 1.826 122.244 120.400 0.029 0.000 2.336 403 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 403 D C -0.381 175.944 176.300 0.042 0.000 1.213 403 D CA 0.140 54.156 54.000 0.027 0.000 0.870 403 D CB 0.869 41.681 40.800 0.021 0.000 1.076 403 D HN 0.536 nan 8.370 nan 0.000 0.483 404 D N 2.589 123.013 120.400 0.041 0.000 2.586 404 D HA -0.019 4.621 4.640 -0.000 0.000 0.234 404 D C -0.282 176.037 176.300 0.032 0.000 1.132 404 D CA 0.525 54.553 54.000 0.046 0.000 0.860 404 D CB 0.552 41.376 40.800 0.039 0.000 1.159 404 D HN 0.309 nan 8.370 nan 0.000 0.490 405 L N 2.333 123.575 121.223 0.031 0.000 2.271 405 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 405 L C 1.194 178.065 176.870 0.001 0.000 1.013 405 L CA -1.140 53.713 54.840 0.022 0.000 0.820 405 L CB 1.185 43.267 42.059 0.038 0.000 1.352 405 L HN 0.608 nan 8.230 nan 0.000 0.443 406 S N -0.320 115.377 115.700 -0.006 0.000 3.416 406 S HA -0.246 4.224 4.470 -0.000 0.000 0.627 406 S C -0.018 174.564 174.600 -0.030 0.000 2.746 406 S CA 0.798 58.981 58.200 -0.028 0.000 3.896 406 S CB -0.854 62.313 63.200 -0.056 0.000 0.264 406 S HN 0.605 nan 8.310 nan 0.000 1.229 407 V N 2.513 122.400 119.914 -0.044 0.000 2.999 407 V HA 0.507 4.627 4.120 -0.000 0.000 0.307 407 V C 1.038 177.118 176.094 -0.024 0.000 1.084 407 V CA 0.389 62.667 62.300 -0.037 0.000 1.155 407 V CB 0.212 32.007 31.823 -0.047 0.000 0.975 407 V HN 1.591 nan 8.190 nan 0.000 0.490 408 A N 5.040 127.851 122.820 -0.015 0.000 2.565 408 A HA 0.534 4.854 4.320 -0.000 0.000 0.237 408 A C 0.952 178.536 177.584 0.000 0.000 1.053 408 A CA 0.702 52.738 52.037 -0.003 0.000 0.755 408 A CB -0.957 18.043 19.000 -0.001 0.000 0.980 408 A HN 2.763 nan 8.150 nan 0.000 0.506 409 G N 0.949 109.760 108.800 0.018 0.000 2.795 409 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.664 409 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.664 409 G C 0.046 174.950 174.900 0.006 0.000 1.381 409 G CA 0.025 45.144 45.100 0.032 0.000 0.853 409 G HN 1.317 nan 8.290 nan 0.000 0.545 410 R N 0.708 121.201 120.500 -0.011 0.000 2.570 410 R HA 0.409 4.749 4.340 -0.000 0.000 0.277 410 R C 0.343 176.564 176.300 -0.132 0.000 1.039 410 R CA 1.008 57.011 56.100 -0.161 0.000 1.065 410 R CB -0.146 29.919 30.300 -0.392 0.000 0.964 410 R HN 0.776 nan 8.270 nan 0.000 0.428 411 D N 0.827 121.144 120.400 -0.140 0.000 2.523 411 D HA 0.136 4.776 4.640 -0.000 0.000 0.236 411 D C -0.213 176.020 176.300 -0.112 0.000 1.094 411 D CA -0.867 53.066 54.000 -0.110 0.000 0.942 411 D CB 1.115 41.854 40.800 -0.102 0.000 1.447 411 D HN 0.468 nan 8.370 nan 0.000 0.479 412 N N -0.740 117.912 118.700 -0.080 0.000 2.459 412 N HA -0.137 4.603 4.740 -0.000 0.000 0.181 412 N C 0.942 176.433 175.510 -0.031 0.000 1.046 412 N CA 0.605 53.635 53.050 -0.033 0.000 0.904 412 N CB 0.117 38.634 38.487 0.050 0.000 0.964 412 N HN 0.371 nan 8.380 nan 0.000 0.444 413 Q N -0.453 119.260 119.800 -0.146 0.000 2.123 413 Q HA 0.002 4.342 4.340 -0.000 0.000 0.196 413 Q C 1.869 177.824 176.000 -0.075 0.000 0.958 413 Q CA 1.245 56.870 55.803 -0.298 0.000 0.841 413 Q CB 0.151 28.456 28.738 -0.722 0.000 0.915 413 Q HN 0.395 nan 8.270 nan 0.000 0.455 414 T N -4.087 110.432 114.554 -0.058 0.000 3.043 414 T HA 0.524 4.874 4.350 -0.000 0.000 0.272 414 T C 1.037 175.730 174.700 -0.012 0.000 0.990 414 T CA 0.130 62.238 62.100 0.014 0.000 0.897 414 T CB 0.374 69.257 68.868 0.025 0.000 1.111 414 T HN 0.361 nan 8.240 nan 0.000 0.529 415 G N 1.870 110.623 108.800 -0.078 0.000 2.574 415 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.286 415 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.286 415 G C 0.252 175.031 174.900 -0.201 0.000 1.212 415 G CA 0.516 45.510 45.100 -0.177 0.000 0.979 415 G HN 0.369 nan 8.290 nan 0.000 0.557 416 Y N 2.575 122.878 120.300 0.004 0.000 2.583 416 Y HA 0.383 4.933 4.550 -0.000 0.000 0.293 416 Y C 2.030 177.929 175.900 -0.002 0.000 1.157 416 Y CA 1.962 60.058 58.100 -0.006 0.000 1.315 416 Y CB -0.224 38.226 38.460 -0.018 0.000 1.021 416 Y HN 1.702 nan 8.280 nan 0.000 0.536 417 G N -0.307 108.566 108.800 0.122 0.000 2.318 417 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.367 417 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.367 417 G C -1.055 173.900 174.900 0.093 0.000 1.260 417 G CA -0.724 44.430 45.100 0.091 0.000 1.055 417 G HN -0.042 nan 8.290 nan 0.000 0.484 418 M N 1.127 120.779 119.600 0.086 0.000 2.188 418 M HA 0.595 5.075 4.480 -0.000 0.000 0.354 418 M C 0.658 177.006 176.300 0.080 0.000 1.342 418 M CA -0.661 54.696 55.300 0.095 0.000 1.117 418 M CB 0.419 33.087 32.600 0.113 0.000 1.670 418 M HN 0.708 nan 8.290 nan 0.000 0.466 419 I N 5.366 125.986 120.570 0.082 0.000 2.815 419 I HA -0.000 4.170 4.170 -0.000 0.000 0.291 419 I C -0.332 175.823 176.117 0.062 0.000 1.209 419 I CA 0.457 61.797 61.300 0.067 0.000 1.431 419 I CB 0.153 38.200 38.000 0.078 0.000 1.351 419 I HN 0.728 nan 8.210 nan 0.000 0.585 420 N N 6.000 124.723 118.700 0.038 0.000 2.576 420 N HA 0.327 5.067 4.740 -0.000 0.000 0.269 420 N C 0.192 175.717 175.510 0.026 0.000 1.058 420 N CA 0.002 53.072 53.050 0.033 0.000 0.860 420 N CB 1.817 40.311 38.487 0.012 0.000 1.249 420 N HN 0.768 nan 8.380 nan 0.000 0.525 421 A N 2.991 125.837 122.820 0.044 0.000 1.883 421 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 421 A C 1.879 179.469 177.584 0.010 0.000 1.186 421 A CA 1.830 53.892 52.037 0.041 0.000 0.624 421 A CB -0.540 18.499 19.000 0.064 0.000 0.822 421 A HN 0.448 nan 8.150 nan 0.000 0.444 422 V N -0.099 119.819 119.914 0.006 0.000 2.287 422 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 422 V C 3.053 179.139 176.094 -0.012 0.000 1.053 422 V CA 2.123 64.414 62.300 -0.016 0.000 1.027 422 V CB -1.383 30.438 31.823 -0.004 0.000 0.646 422 V HN 0.629 nan 8.190 nan 0.000 0.447 423 A N -0.094 122.726 122.820 0.000 0.000 1.902 423 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 423 A C 2.422 180.019 177.584 0.023 0.000 1.181 423 A CA 2.023 54.065 52.037 0.008 0.000 0.623 423 A CB -0.777 18.220 19.000 -0.005 0.000 0.818 423 A HN 0.577 nan 8.150 nan 0.000 0.443 424 A N -0.241 122.580 122.820 0.003 0.000 1.902 424 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 424 A C 2.183 179.814 177.584 0.078 0.000 1.181 424 A CA 1.957 54.000 52.037 0.011 0.000 0.623 424 A CB -0.417 18.580 19.000 -0.005 0.000 0.818 424 A HN 0.392 nan 8.150 nan 0.000 0.443 425 K N 0.206 120.623 120.400 0.028 0.000 2.026 425 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 425 K C 2.146 178.770 176.600 0.041 0.000 1.048 425 K CA 1.531 57.817 56.287 -0.002 0.000 0.929 425 K CB -0.552 31.819 32.500 -0.215 0.000 0.713 425 K HN 0.341 nan 8.250 nan 0.000 0.439 426 A N 0.285 123.120 122.820 0.025 0.000 1.978 426 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 426 A C 2.153 179.771 177.584 0.057 0.000 1.170 426 A CA 1.435 53.493 52.037 0.034 0.000 0.636 426 A CB -0.812 18.205 19.000 0.029 0.000 0.810 426 A HN 0.514 nan 8.150 nan 0.000 0.448 427 Y N 0.431 120.702 120.300 -0.049 0.000 2.114 427 Y HA -0.151 4.399 4.550 0.000 0.000 0.284 427 Y C 1.965 177.804 175.900 -0.102 0.000 1.143 427 Y CA 2.023 60.084 58.100 -0.064 0.000 1.135 427 Y CB -0.282 38.141 38.460 -0.062 0.000 0.980 427 Y HN 0.210 nan 8.280 nan 0.000 0.499 428 L N -0.172 121.057 121.223 0.011 0.000 2.362 428 L HA -0.171 4.169 4.340 -0.000 0.000 0.219 428 L C 1.742 178.287 176.870 -0.542 0.000 1.134 428 L CA 0.952 55.640 54.840 -0.253 0.000 0.807 428 L CB -0.521 41.457 42.059 -0.135 0.000 0.927 428 L HN 0.199 nan 8.230 nan 0.000 0.447 429 D N 0.025 120.299 120.400 -0.211 0.000 2.178 429 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 429 D C 2.174 178.402 176.300 -0.121 0.000 0.980 429 D CA 0.926 54.889 54.000 -0.062 0.000 0.842 429 D CB 0.132 40.970 40.800 0.064 0.000 0.948 429 D HN 0.280 nan 8.370 nan 0.000 0.472 430 E N 0.163 120.259 120.200 -0.174 0.000 2.046 430 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 430 E C 1.028 177.515 176.600 -0.188 0.000 0.982 430 E CA 0.674 56.973 56.400 -0.167 0.000 0.800 430 E CB 0.082 29.655 29.700 -0.212 0.000 0.756 430 E HN 0.319 nan 8.360 nan 0.000 0.449 431 S N -2.333 113.207 115.700 -0.267 0.000 2.688 431 S HA 0.094 4.564 4.470 -0.000 0.000 0.269 431 S C 0.505 174.954 174.600 -0.252 0.000 1.060 431 S CA -0.364 57.703 58.200 -0.222 0.000 0.844 431 S CB 0.240 63.339 63.200 -0.168 0.000 1.095 431 S HN 0.097 nan 8.310 nan 0.000 0.466 432 c N 1.547 120.052 118.600 -0.159 0.000 2.430 432 c HA 0.123 4.693 4.570 -0.000 0.000 0.288 432 c C 2.292 176.332 174.090 -0.084 0.000 1.448 432 c CA 1.207 57.475 56.329 -0.102 0.000 1.784 432 c CB -1.923 40.567 42.510 -0.033 0.000 1.776 432 c HN 0.988 nan 8.230 nan 0.000 0.547 433 T N -2.887 111.582 114.554 -0.141 0.000 3.132 433 T HA 0.500 4.850 4.350 -0.000 0.000 0.274 433 T C 0.794 175.297 174.700 -0.328 0.000 1.011 433 T CA 0.686 62.720 62.100 -0.111 0.000 0.899 433 T CB 0.275 69.102 68.868 -0.069 0.000 1.089 433 T HN 0.885 nan 8.240 nan 0.000 0.543 434 G N 2.663 111.035 108.800 -0.714 0.000 2.698 434 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.225 434 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.225 434 G C -2.799 171.745 174.900 -0.593 0.000 1.345 434 G CA -0.576 43.718 45.100 -1.342 0.000 0.871 434 G HN 0.440 nan 8.290 nan 0.000 0.540 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 62.973 63.100 -0.212 0.000 0.800 435 P CB 0.000 31.621 31.700 -0.131 0.000 0.726